SCHEMBL9580448

SCHEMBL9580448

CC1(N=C=O)CCC(N=C=O)CC1(N=C=O)N=C=O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
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
SCHEMBL10996708 0.77 ALDH1A1 (0.39) ALDH1A1CYP3A4
SCHEMBL15574 0.72 ALDH1A1 (0.46) ALDH1A1CYP3A4
SCHEMBL3647082 0.72 ALDH1A1 (0.41) ALDH1A1CYP3A4
SCHEMBL23051093 0.71 ALDH1A1 (0.38) ALDH1A1CYP3A4
Methylamine SCHEMBL27496016 0.71 ALDH1A1 (0.42) ALDH1A1CYP3A4
SCHEMBL6052865 0.71 ALDH1A1 (0.50) ALDH1A1CYP3A4
SCHEMBL106677 0.70 ALDH1A1 (0.45) ALDH1A1CYP3A4
Cyclohexane SCHEMBL3386540 0.69 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL8622618 0.69 ALDH1A1 (0.39) ALDH1A1CYP3A4
SCHEMBL8827802 0.69 ALDH1A1 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5212209-A Compositions for forming polyurethanes for molding materials THE DOW CHEMICAL COMPANY (US) 1993-05-18 US disclosed
EP-0490342-A2 Compatibilized internal mold release compositions for preparation of foamed and fiber-reinforced polymeric articles THE DOW CHEMICAL COMPANY (US) 1992-06-17 EP disclosed