Acetonitrile

Acetonitrile

SCHEMBL4869057

CC#N.CC(=O)OC(C)=O

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
TSHR P16473 2/20 0.67
TDP1 Q9NUW8 3/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 3/20 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 SCHEMBL27680478 1.00 ALDH1A1 (0.67) ALDH1A1TSHRTDP1HSD17B10LMNA
Acetonitrile SCHEMBL28015776 0.97 ALDH1A1 (0.62) ALDH1A1TSHRTDP1HSD17B10LMNA
Water SCHEMBL27804318 0.86 ALDH1A1 (0.91) ALDH1A1TSHRTDP1HSD17B10LMNA
Water SCHEMBL18836927 0.86
Water SCHEMBL8957849 0.86
Acetonitrile SCHEMBL9387131 0.83 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HSD17B10LMNA
Water SCHEMBL5697496 0.82 ALDH1A1 (0.83) ALDH1A1TSHRTDP1HSD17B10LMNA
Water SCHEMBL17584784 0.82 ALDH1A1 (0.83) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL8972750 0.82
Water SCHEMBL27738945 0.82 ALDH1A1 (0.83) ALDH1A1TSHRTDP1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112213428-A Supercritical CO2Non-catalytic acetylation reaction and on-line detection method thereof 辽宁科技大学 2021-01-12 CN claimed
CN-106215821-A A kind of preparation method of magnetic microparticle chemiluminescence immune assay reagent carboxyl magnetic bead 江苏泽成生物技术有限公司 2016-12-14 CN claimed
WO-2024140596-A1 SIRNA MOLECULE FOR REGULATING ACTIVITY OF XDH GENE 大睿生物医药科技(上海)有限公司 2024-07-04 WO disclosed
WO-2024104416-A1 SIRNA FOR INHIBITING EXPRESSION OF SCAP GENE, CONJUGATE THEREOF, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 北京福元医药股份有限公司 2024-05-23 WO disclosed
US-20240158432-A1 COMPOSITIONS COMPRISING DICHLOROACETIC ACID, PROCESSES FOR PREPARING SAME AND USES THEREOF SHANGHAI STA PHARMACEUTICAL R&D CO., LTD. (CN) 2024-05-16 US disclosed
WO-2024093907-A1 LIGAND FOR DELIVERING SIRNA TO EYE AND CENTRAL NERVOUS SYSTEM 大睿生物医药科技(上海)有限公司 2024-05-10 WO disclosed
WO-2024093947-A1 PRODRUG FOR DELIVERING SIRNA INTO CELL 大睿生物医药科技(上海)有限公司 2024-05-10 WO disclosed
CN-116917477-B Targeting ligands containing N-acetylgalactosamine 大睿生物医药科技(上海)有限公司 2024-04-09 CN disclosed
WO-2023208109-A9 SIRNA FOR INHIBITING HSD17B13 EXPRESSION, CONJUGATE AND PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 北京福元医药股份有限公司 2024-03-28 WO disclosed
CN-117757790-A siRNA for inhibiting SCAP gene expression, conjugate, pharmaceutical composition and application thereof 北京福元医药股份有限公司 2024-03-26 CN disclosed
CN-117756866-A Targeting ligands containing N-acetylgalactosamine 大睿生物医药科技(上海)有限公司 2024-03-26 CN disclosed
US-7173123-B2 Methods for detection of chloral hydrate in dichloroacetic acid ISIS PHARMACEUTICALS, INC. (US) 2007-02-06 US disclosed
EP-1356115-B1 METHODS FOR DETECTION OF CHLORAL HYDRATE IN DICHLOROACETIC ACID ISIS PHARMACEUTICALS INC (US) 2006-11-29 EP disclosed
US-20050113569-A1 Methods for detection of chloral hydrate in dichloroacetic acid ISIS PHARMACEUTICALS, INC. 2005-05-26 US disclosed
EP-1356115-A4 METHODS FOR DETECTION OF CHLORAL HYDRATE IN DICHLOROACETIC ACID ISIS PHARMACEUTICALS INC (US) 2004-06-23 EP disclosed
CN-1489633-A Method for detecting chloral hydrate in dichloroacetic acid ISISҩ�﹫˾ 2004-04-14 CN disclosed
US-6645716-B2 Detecting nuclear magnetic resonance spectrum of chloral hydrate in sample; obtain sample of dichloroacetic acid, monitor resonance spectrum for presence of chloral hydrate ISIS PHARMACEUTICALS, INC. 2003-11-11 US disclosed
EP-1356115-A1 METHODS FOR DETECTION OF CHLORAL HYDRATE IN DICHLOROACETIC ACID ISIS PHARMACEUTICALS, INC. (US) 2003-10-29 EP disclosed
US-20020119483-A1 Methods for detection of chloral hydrate in dichloroacetic acid IONIS PHARMACEUTICALS, INC. 2002-08-29 US disclosed
WO-2002061138-A1 METHODS FOR DETECTION OF CHLORAL HYDRATE IN DICHLOROACETIC ACID ISIS PHARMACEUTICALS, INC. (US) 2002-08-08 WO 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 (2 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-20240158432-A1 COMPOSITIONS COMPRISING DICHLOROACETIC ACID, PROCESSES FOR PREPARING SAME AND USES THEREOF AGXT, DDC, DERA ALDH1A1 1799/4885TSHR 4065/4885TDP1 2161/4885
US-20050113569-A1 Methods for detection of chloral hydrate in dichloroacetic acid CA3, CA6, HDHD5 ALDH1A1 477/4885TSHR 2564/4885TDP1 2441/4885

“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.