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Acrylonitrile

Acrylonitrile

SCHEMBL3042297

C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C.C=CC#N

nearest known ligand 0.41

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Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.41
▸ THRB P10828 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.36
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 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
SCHEMBL4388338 0.87 TSHR (0.42) TSHRTHRBALDH1A1
Propene SCHEMBL28137471 0.86 THRB (0.45) TSHRTHRBALDH1A1TP53CYP3A4
Butadiene SCHEMBL9316374 0.86 THRB (0.45) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL23636 0.86 THRB (0.48) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL28149678 0.86 THRB (0.48) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL10391726 0.84 THRB (0.47) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL5884750 0.84 THRB (0.47) TSHRTHRBALDH1A1TP53CYP3A4
Propane SCHEMBL28078056 0.84 THRB (0.47) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL28120744 0.84 THRB (0.47) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL17933329 0.84 THRB (0.39) TSHRTHRBALDH1A1

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
US-7654268-B2 Artificial nail form CARPENTER JUNE 2010-02-02 — — US disclosed
US-20070277840-A1 Artificial nail form CARPENTER JUNE 2007-12-06 — — US disclosed