Acetonitrile

Acetonitrile

SCHEMBL2589942

C.CC#N.NC(O)=S.OC(=S)Nc1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TAS2R38 P59533 3/20 0.53
HSD17B10 Q99714 2/20 0.53
TP53 P04637 1/20 0.53
TYR P14679 1/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 5/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 8/20 0.46
NPC1 O15118 2/20 0.44
NOX1 Q9Y5S8 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PHGDH O43175 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
Methane SCHEMBL1286316 0.88 ALDH1A1 (0.67) ALDH1A1TAS2R38HSD17B10TP53TYR
Methane SCHEMBL11774994 0.86 ALDH1A1 (0.64) ALDH1A1TAS2R38HSD17B10TP53TYR
Ethane SCHEMBL3723781 0.86 TAS2R38 (0.64) ALDH1A1TAS2R38HSD17B10TP53TYR
Methane SCHEMBL9753979 0.86 ALDH1A1 (0.64) ALDH1A1TAS2R38HSD17B10TP53TYR
SCHEMBL1276486 0.86 ALDH1A1 (0.70) ALDH1A1TAS2R38HSD17B10TP53TYR
Propionitrile SCHEMBL21980723 0.86 ALDH1A1 (0.50) ALDH1A1TAS2R38HSD17B10TP53TYR
Dimethylamine SCHEMBL11568529 0.84 TAS2R38 (0.61) ALDH1A1TAS2R38HSD17B10TP53TYR
Ethane SCHEMBL28688723 0.84 TAS2R38 (0.61) ALDH1A1TAS2R38HSD17B10TP53TYR
Ammonia Solution, Strong SCHEMBL9168287 0.84 ALDH1A1 (0.67) ALDH1A1TAS2R38HSD17B10TP53TYR
SCHEMBL28388940 0.84 ALDH1A1 (0.67) ALDH1A1TAS2R38HSD17B10TP53TYR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849183-B Vinyl ether-vinyl ester copolymers 丸善石油化学株式会社 2022-04-26 CN disclosed
US-11005101-B2 Block graft copolymer binders and their use in silicon-containing anodes of lithium-ion batteries UT-BATTELLE, LLC (US) 2021-05-11 US disclosed
CN-107531818-B Method for producing alkenyl ether polymer 丸善石油化学株式会社 2020-01-31 CN disclosed
US-20190229337-A1 BLOCK GRAFT COPOLYMER BINDERS AND THEIR USE IN SILICON-CONTAINING ANODES OF LITHIUM-ION BATTERIES UT-BATTELLE, LLC 2019-07-25 US disclosed
US-9715187-B2 Method of producing a compound having a colorant structure, and toner containing a compound obtained by the production method CANON KABUSHIKI KAISHA (JP) 2017-07-25 US disclosed
EP-2927285-A1 METHOD OF PRODUCING A COMPOUND HAVING A COLORANT STRUCTURE, AND TONER CONTAINING A COMPOUND OBTAINED BY THE PRODUCTION METHOD Canon Kabushiki Kaisha (JP) 2015-10-07 EP disclosed
US-20150277254-A1 METHOD OF PRODUCING A COMPOUND HAVING A COLORANT STRUCTURE, AND TONER CONTAINING A COMPOUND OBTAINED BY THE PRODUCTION METHOD CANON KABUSHIKI KAISHA (JP) 2015-10-01 US disclosed
US-20130123144-A1 TUNABLE LCST POLYMERS AND METHODS OF PREPARATION CORNELL UNIVERSITY (US) 2013-05-16 US disclosed
WO-2011140409-A2 TUNABLE LCST POLYMERS AND METHODS OF PREPARATION CORNELL UNIVERSITY (US) 2011-11-10 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 (1 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-20130123144-A1 TUNABLE LCST POLYMERS AND METHODS OF PREPARATION LCP1, DLST, ALG1 ALDH1A1 3985/4885TAS2R38 2976/4885HSD17B10 2731/4885

“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.