SCHEMBL9709162

SCHEMBL9709162

O=C=NC1(N=C=O)CCCCC1CC1CCCCC1(N=C=O)N=C=O.O=C=Nc1cccc2c(N=C=O)cccc12

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34

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
SCHEMBL22694 0.80 ALDH1A1 (0.31)
SCHEMBL28856853 0.75 CYP3A4 (0.42) CYP3A4
SCHEMBL10619976 0.71 POLB (0.36)
SCHEMBL5551366 0.71 ALDH1A1 (0.31)
SCHEMBL875240 0.70 ALDH1A1 (0.31)
SCHEMBL22210 0.70 CYP3A4 (0.62) CYP3A4
SCHEMBL29370250 0.70 CYP3A4 (0.62) CYP3A4
SCHEMBL133031 0.68
SCHEMBL475684 0.68
SCHEMBL10782669 0.66 ALDH1A1 (0.42)

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-0502591-A2 Protein non-adsorptive polyurea-urethane polymer coated devices W.R. Grace & Co.-Conn. (US) 1992-09-09 EP disclosed
EP-0333899-A2 Biocompatible polyurea-urethane hydrated polymers HAMPSHIRE CHEMICAL CORPORATION (US) 1989-09-27 EP disclosed