SCHEMBL9518336

SCHEMBL9518336

O=C=NC(N=C=O)(N=C=O)C1(CC2CCCCC2)CCCCC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL5090154 0.66
SCHEMBL9023567 0.66 CHRM5 (0.32)
SCHEMBL9768725 0.66
SCHEMBL17982081 0.66 ALDH1A1 (0.31) ALDH1A1
SCHEMBL22660146 0.63 ALDH1A1 (0.35) ALDH1A1
SCHEMBL29133501 0.62 ALDH1A1 (0.36) ALDH1A1
SCHEMBL9112630 0.62 ALDH1A1 (0.34) ALDH1A1
SCHEMBL9821146 0.61 CHRM5 (0.33)
SCHEMBL6252771 0.60 ALDH1A1 (0.50) ALDH1A1
SCHEMBL8384899 0.60 SCN1A (0.31)

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-0400383-B1 UREA GROUPS CONTAINING (METH)-ACRYLIC ACID DERIVATIVS FROM TRIISOCYANATES AND THEIR USE BAYER AG (DE) 1993-03-03 EP disclosed
US-5070165-A DENTISTRY, PHOTOPOLYMERIZATION BAYER AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
US-5037926-A Monomers for dentistry BAYER AKTIENGESELLSCHAFT (DE) 1991-08-06 US disclosed
US-5008436-A Filling, forming teeth BAYER AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed