SCHEMBL8967801

SCHEMBL8967801

C=CCC(C)(CC=C)CCC

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL8983713 0.87 LMNA (0.31) LMNAHSD17B10
SCHEMBL12345343 0.82
SCHEMBL1277109 0.80 TSHR (0.46) TSHRALDH1A1
SCHEMBL8690770 0.78 MAPT (0.32) TSHR
SCHEMBL23132548 0.78 TSHR (0.36) TSHRALDH1A1
SCHEMBL3292585 0.78
SCHEMBL999119 0.77
SCHEMBL29018424 0.76
SCHEMBL12469806 0.76 TSHR (0.48) TSHRALDH1A1LMNAHSD17B10
SCHEMBL9451200 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1038249-C Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM & HAAS (US) 1998-05-06 CN disclosed
US-5554787-A CHEMICAL INTERMEDIATES FOR POLYURETHANES BASF AKTIENGESELLSCHAFT (DE) 1996-09-10 US disclosed
CN-1069729-A Dihydropyridazinone, pyridazinone and related compound thereof as sterilant ROHM & HAAS (US) 1993-03-10 CN disclosed