Sugi Predict

Sugi Predict / Compounds / Acetonitrile

Acetonitrile

Acetonitrile

SCHEMBL28980702

CC#N.CCCCOBO

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ ATM Q13315 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30

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
Alcohol SCHEMBL28159426 0.83 TSHR (0.44) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL45784 0.80 — —
SCHEMBL21581256 0.78 THRB (0.44) TSHRALDH1A1
SCHEMBL21581249 0.78 THRB (0.44) TSHRALDH1A1
SCHEMBL15092019 0.78 — —
SCHEMBL1473434 0.78 THRB (0.44) TSHRALDH1A1
SCHEMBL21581268 0.78 THRB (0.44) TSHRALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL28061622 0.76 TSHR (0.67) TSHRALDH1A1ADRB2ADRB1ADRB3
Acetonitrile SCHEMBL17627828 0.72 TSHR (0.55) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL845310 0.72 — —

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-115932148-A Method for detecting pinacol residual quantity in Clibolol bulk drug 上海明捷医药科技有限公司 2023-04-07 — — CN disclosed
CN-115932148-A Method for detecting pinacol residual quantity in Clibolol bulk drug 上海明捷医药科技有限公司 2023-04-07 — — CN disclosed