SCHEMBL8668334

SCHEMBL8668334

C1CCC(C2CCCSC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL9451625 0.94 ALDH1A1 (0.44) ALDH1A1
SCHEMBL27972432 0.92
SCHEMBL27972666 0.92
SCHEMBL29317582 0.92 ALDH1A1 (0.39) ALDH1A1
SCHEMBL16877592 0.92 ALDH1A1 (0.39) ALDH1A1
SCHEMBL16878303 0.92
SCHEMBL16878723 0.89 ALDH1A1 (0.44) ALDH1A1
SCHEMBL18207928 0.86 ALDH1A1 (0.47) ALDH1A1
SCHEMBL9444949 0.82 ALDH1A1 (0.47) ALDH1A1
SCHEMBL2103075 0.80 ALDH1A1 (0.30) ALDH1A1

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-0871609-A1 CYCLOHEXENONE OXIME ETHER METAL SALTS BASF AKTIENGESELLSCHAFT (DE) 1998-10-21 EP disclosed
WO-1997020807-A1 CYCLOHEXENONE OXIME ETHER METAL SALTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-12 WO disclosed