SCHEMBL4449402

SCHEMBL4449402

CC1(N=C=O)CC(N=C=O)CC(N=C=O)C1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL27573758 0.84 ALDH1A1 (0.33) ALDH1A1CYP3A4
SCHEMBL10996708 0.80 ALDH1A1 (0.39) ALDH1A1CYP3A4
SCHEMBL264479 0.79 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL106677 0.77 ALDH1A1 (0.45) ALDH1A1CYP3A4
SCHEMBL15574 0.75 ALDH1A1 (0.46) ALDH1A1CYP3A4
SCHEMBL23051093 0.74 ALDH1A1 (0.38) ALDH1A1CYP3A4
SCHEMBL13920839 0.74 ALDH1A1 (0.42) ALDH1A1CYP3A4
Methylamine SCHEMBL27496016 0.74 ALDH1A1 (0.42) ALDH1A1CYP3A4
SCHEMBL425684 0.74
Cyclohexane SCHEMBL3386540 0.72 ALDH1A1 (0.54) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530757-B1 Polymer for optical products and process for preparation thereof HOYA CORP (JP) 1997-05-21 EP claimed
US-5294666-A Polythiourethanes with 2,5-dimethyl-1,4-dithiane groups HOYA CORPORATION (JP) 1994-03-15 US claimed
EP-0530757-A1 Polymer for optical products and process for preparation thereof HOYA CORPORATION (JP) 1993-03-10 EP claimed
JP-7278250-A None JP disclosed
EP-0630927-B2 Optical urethane resin MITSUI TAKEDA CHEMICALS INC (JP) 2009-07-01 EP disclosed
US-20030036620-A1 From an aromatic isocyanate having a structure in which the isocyanate groups are not directly bonded to a benzene ring, an aliphatic isocyanate, an alicyclic isocyanate, and derivatives of these isocyanates. MITSUI CHEMICALS, INC. (JP) 2003-02-20 US disclosed
EP-1167416-A1 URETHANE RESIN COMPOSITION FOR SEALING OPTOELECTRIC CONVERSION DEVICES Mitsui Chemicals, Inc. (JP) 2002-01-02 EP disclosed
EP-0630927-B1 Optical urethane resin TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-09-16 EP disclosed
EP-0530757-B1 Polymer for optical products and process for preparation thereof HOYA CORP (JP) 1997-05-21 EP disclosed
US-5576412-A POLYURETHANES FORMED BY REACTION OF ALCOHOL OR MERCAPTAN WITH ISO(THIO)CYANATE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-11-19 US disclosed
JP-H07278250-A POLYURETHANE RESIN COMPOSITION FOR SEALANT FUSO KAGAKU KOGYO KK 1995-10-24 JP disclosed
EP-0630927-A2 Optical urethane resin Takeda Chemical Industries, Ltd. (JP) 1994-12-28 EP disclosed
US-5294666-A Polythiourethanes with 2,5-dimethyl-1,4-dithiane groups HOYA CORPORATION (JP) 1994-03-15 US disclosed
US-5294666-A Polythiourethanes with 2,5-dimethyl-1,4-dithiane groups HOYA CORPORATION (JP) 1994-03-15 US disclosed
EP-0530757-A1 Polymer for optical products and process for preparation thereof HOYA CORPORATION (JP) 1993-03-10 EP disclosed
EP-0530757-A1 Polymer for optical products and process for preparation thereof HOYA CORPORATION (JP) 1993-03-10 EP disclosed