SCHEMBL8520016

SCHEMBL8520016

CCC1(C)CCCC(N=C=O)C1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 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
SCHEMBL2762954 0.83 ALDH1A1 (0.60) ALDH1A1CYP3A4
SCHEMBL6052865 0.78 ALDH1A1 (0.50) ALDH1A1CYP3A4
SCHEMBL3416401 0.77 ALDH1A1 (0.41) ALDH1A1CYP3A4
SCHEMBL106677 0.74 ALDH1A1 (0.45) ALDH1A1CYP3A4
SCHEMBL13386480 0.74 ALDH1A1 (0.71) ALDH1A1CYP3A4
SCHEMBL27853802 0.72 ALDH1A1 (0.44) ALDH1A1CYP3A4
SCHEMBL10571330 0.72 ALDH1A1 (0.44) ALDH1A1CYP3A4
SCHEMBL9440110 0.72 ALDH1A1 (0.37) ALDH1A1CYP3A4
SCHEMBL13920839 0.71 ALDH1A1 (0.42) ALDH1A1CYP3A4
Methylamine SCHEMBL27496016 0.71 ALDH1A1 (0.42) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0938513-A1 POLYISOCYANATES CONTAINING TIN AND METHOD FOR PREPARING POLYISOCYANATE-POLYADDITION PRODUCTS BASF AKTIENGESELLSCHAFT (DE) 1999-09-01 EP disclosed
WO-1998022520-A1 POLYISOCYANATES CONTAINING TIN AND METHOD FOR PREPARING POLYISOCYANATE-POLYADDITION PRODUCTS BASF AKTIENGESELLSCHAFT (DE) 1998-05-28 WO disclosed
EP-0012381-A1 Process for the preparation of compounds containing hydantoin groups BAYER AG (DE) 1980-06-25 EP disclosed
EP-0012379-A1 Laquer mixture and coating material containing polyamide hydantoins BAYER AG (DE) 1980-06-25 EP disclosed