Acetonitrile

Acetonitrile

SCHEMBL28114814

CC#N.CCOCCOCC

nearest known ligand 0.45

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.36
HTT P42858 1/20 0.33

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
Ether SCHEMBL6671828 0.86
Ether SCHEMBL712930 0.86
Water SCHEMBL900901 0.86 ALDH1A1 (0.56) ALDH1A1TSHRTHRB
Ether SCHEMBL10949974 0.83
Ammonia Solution, Strong SCHEMBL28285762 0.82 ALDH1A1 (0.53) ALDH1A1TSHRTHRB
Water SCHEMBL817597 0.82 ALDH1A1 (0.53) ALDH1A1TSHRTHRBHTT
SCHEMBL19970453 0.82 ALDH1A1 (0.60) ALDH1A1TSHRTHRBHTT
SCHEMBL22247 0.82
Ether SCHEMBL3506897 0.80 ALDH1A1 (0.38) ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL28287098 0.79 ALDH1A1 (0.50) ALDH1A1TSHRTHRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105164179-B Epoxy resin composition, cured product, heat dissipating material, and electronic component DIC株式会社 2017-09-08 CN disclosed
CN-103367706-B Substrate and accumulator 株式会社东芝 2016-12-28 CN disclosed