SCHEMBL6634820

SCHEMBL6634820

C=CCCC#N.CC=CCC#N.CCC=CC#N

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL6634817 1.00 TSHR (0.47) TSHRALDH1A1
SCHEMBL6636316 1.00 TSHR (0.47) TSHRALDH1A1
SCHEMBL6636323 1.00 TSHR (0.47) TSHRALDH1A1
SCHEMBL27363543 0.88 ALDH1A1 (0.60) TSHRALDH1A1
SCHEMBL9079830 0.87 TSHR (0.62) TSHRALDH1A1
SCHEMBL15992848 0.87 TSHR (0.62) TSHRALDH1A1
SCHEMBL27791384 0.85 TSHR (0.65) TSHR
SCHEMBL27698347 0.85 TSHR (0.65) TSHR
SCHEMBL8863219 0.78 TSHR (0.50) TSHRALDH1A1
SCHEMBL8532404 0.75 TSHR (0.47) TSHRALDH1A1

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
EP-1419139-A1 SYNTHESIS OF UNSATURATED NITRILES FROM LACTONES INVISTA Technologies S.à.r.l. (US) 2004-05-19 EP disclosed
WO-2003018540-A1 SYNTHESIS OF UNSATURATED NITRILES FROM LACTONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-03-06 WO disclosed