Acetonitrile

Acetonitrile

SCHEMBL953246

CC#N.CC(C)NC(C)C

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
TSHR P16473 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Acetonitrile SCHEMBL1526829 1.00 TDP1 (0.61) TDP1TSHR
Acetonitrile SCHEMBL28125497 0.96 TDP1 (0.57) TDP1TSHR
Acetonitrile SCHEMBL4429686 0.93 TDP1 (0.53) TDP1TSHR
Water SCHEMBL4030267 0.83
Cyanate SCHEMBL28209292 0.81 TDP1 (0.57) TDP1TSHR
SCHEMBL28239025 0.81 TDP1 (0.57) TDP1TSHR
Water SCHEMBL28300228 0.79 TDP1 (0.80) TDP1
SCHEMBL27928984 0.78 TDP1 (1.00) TDP1TSHR
SCHEMBL2020 0.78
SCHEMBL1332279 0.78

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5025098-A None JP disclosed
US-12269841-B2 Production method for oligonucleotides AJINOMOTO CO., INC. (JP) 2025-04-08 US disclosed
US-20240173345-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING SUBSTITUTED NUCLEOTIDE AND NUCLEOSIDE FOR TREATING VIRAL INFECTIONS EMORY UNIVERSITY 2024-05-30 US disclosed
EP-4333859-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS, COMBINATIONS AND USES RELATED THERETO Emory University (US) 2024-03-13 EP disclosed
US-11857560-B2 Pharmaceutical compositions comprising substituted nucleotides and nucleosides for treating viral infections EMORY UNIVERSITY (US) 2024-01-02 US disclosed
EP-3043803-B1 NUCLEOTIDE AND NUCLEOSIDE COMPOSITIONS AND THEIR USES UNIV EMORY (US) 2022-04-27 EP disclosed
US-11312688-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-04-26 US disclosed
EP-3925964-A1 PRODUCTION METHOD FOR OLIGONUCLEOTIDES AJINOMOTO CO., INC. (JP) 2021-12-22 EP disclosed
US-20210371450-A1 PRODUCTION METHOD FOR OLIGONUCLEOTIDES AJINOMOTO CO., INC. (JP) 2021-12-02 US disclosed
US-11166973-B2 Substituted nucleotides and nucleosides for treating viral infections EMORY UNIVERSITY (US) 2021-11-09 US disclosed
US-20140031406-A1 PYRAZOLE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-01-30 US disclosed
US-8569353-B2 Pyrazole compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-10-29 US disclosed
US-20130116296-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2013-05-09 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed
CN-1245375-C Process for synthesizing N,N-diisopropyl ethylenediamine UNIV ZHEJIANG (CN) 2006-03-15 CN disclosed
CN-1634856-A Process for synthesizing N,N-diisopropyl ethylenediamine UNIV ZHEJIANG (CN) 2005-07-06 CN disclosed
JP-H0525098-A PRODUCTION OF N,N-DI-SUBSTITUTED ETHYLENEDIAMINE KOEI CHEM CO LTD 1993-02-02 JP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11166973-B2 Substituted nucleotides and nucleosides for treating viral infections PNP, TYMP, HPRT1 TDP1 341/4885TSHR 2261/4885
US-11857560-B2 Pharmaceutical compositions comprising substituted nucleotides and nucleosides for treating viral infections SLC28A1, PNP, SLC28A2 TDP1 978/4885TSHR 3619/4885
US-11312688-B2 Pyrazole compound HTR2C, HTR3B, HTR3A TDP1 4230/4885TSHR 123/4885
US-20130116296-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A TDP1 4230/4885TSHR 123/4885
US-20240173345-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING SUBSTITUTED NUCLEOTIDE AND NUCLEOSIDE FOR TREATING VIRAL INFECTIONS PNP, NTPCR, TYMP TDP1 259/4885TSHR 3703/4885
US-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 TDP1 2609/4885TSHR 1608/4885
US-20210371450-A1 PRODUCTION METHOD FOR OLIGONUCLEOTIDES RNGTT, DCLRE1B, PHOSPHO1 TDP1 320/4885TSHR 3297/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 TDP1 2138/4885TSHR 2433/4885
US-20140031406-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A TDP1 4230/4885TSHR 123/4885
US-12269841-B2 Production method for oligonucleotides RNGTT, DCLRE1B, PHOSPHO1 TDP1 320/4885TSHR 3297/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.