SCHEMBL11061361

SCHEMBL11061361

C=CC(C)=C(C#N)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL2875196 0.74 LMNA (0.35) LMNA
SCHEMBL2875198 0.74 LMNA (0.35) LMNA
SCHEMBL19047037 0.74 TDP1 (0.33) TDP1
SCHEMBL11122751 0.72 ALDH1A1 (0.52) ALDH1A1LMNATDP1
SCHEMBL11119398 0.72 ALDH1A1 (0.52) ALDH1A1LMNATDP1
SCHEMBL9171301 0.72 ALDH1A1 (0.38) ALDH1A1
SCHEMBL6259534 0.72 TDP1 (0.41) ALDH1A1LMNATDP1
SCHEMBL6259536 0.72 TDP1 (0.41) ALDH1A1LMNATDP1
SCHEMBL723355 0.72
SCHEMBL4507423 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
EP-2100924-A2 Pyrazolotriazole compound and electrophotographic toner Konica Minolta Business Technologies, INC. (JP) 2009-09-16 EP disclosed
US-4425471-A HEAT AND WATER RESISTANT MINNESOTA MINING & MANUFACTURING COMPANY (US) 1984-01-10 US disclosed