SCHEMBL7763583

SCHEMBL7763583

CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1.O=C=NC1CCC(CC2CCC(N=C=O)CC2)CC1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.81
CYP3A4 P08684 1/20 0.81

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
SCHEMBL22346251 0.93 ALDH1A1 (0.94) ALDH1A1CYP3A4
SCHEMBL6568876 0.93 ALDH1A1 (0.94) ALDH1A1CYP3A4
SCHEMBL29932997 0.90 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL30393565 0.90 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL5610404 0.90 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL15846 0.90 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL6836764 0.90 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL2821152 0.90 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL28910450 0.90 ALDH1A1 (1.00) ALDH1A1CYP3A4
SCHEMBL14679716 0.90 ALDH1A1 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10442959-B2 Peelable adhesive polymeric film DUPONT TEIJIN FILMS U.S. LIMITED PARTNERSHIP (US) 2019-10-15 US claimed
EP-0728785-B1 Water-dispersible polyisocyanate mixtures BAYER AG (DE) 2001-05-02 EP disclosed
EP-0807649-A1 Polyurethaneprepolymers containing alkoxysilane- and hydantoin groups, process for their preparation and their use for the preparation of sealants BAYER AG (DE) 1997-11-19 EP disclosed
US-5654391-A STORAGE STABILITY HERBERTS GMBH (DE) 1997-08-05 US disclosed
EP-0728785-A1 Water-dispersible polyisocyanate mixtures BAYER AG (DE) 1996-08-28 EP disclosed