SCHEMBL131904

SCHEMBL131904

CC12CC(CC1N=C=O)CC2N=C=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL19994523 0.74
SCHEMBL27573038 0.72
SCHEMBL28504122 0.72 ALDH1A1 (0.36) ALDH1A1CYP3A4
SCHEMBL27992591 0.67 ALDH1A1 (0.30) ALDH1A1CYP3A4
SCHEMBL28399268 0.65 ALDH1A1 (0.43) ALDH1A1CYP3A4
SCHEMBL126456 0.64
SCHEMBL131862 0.64
SCHEMBL10584010 0.64
SCHEMBL10581620 0.64
SCHEMBL6558019 0.63 ALDH1A1 (0.31) 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 149 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6555645-B1 Degradable polyurethane resin resulting from reaction of polyol with 2,5/2,6-diisocyanatomethylbicyclo(2.2.1)heptane MITSUI CHEMICALS, INC. (JP) 2003-04-29 US claimed
EP-1162221-A1 POLYURETHANE RESIN WITH DEGRADABILITY Mitsui Chemicals, Inc. (JP) 2001-12-12 EP claimed
EP-0458333-B2 Polyisocyanato-isocyanurate, and preparation process and use of the same MITSUI TOATSU CHEMICALS (JP) 2001-11-07 EP claimed
EP-0458333-B1 Polyisocyanato-isocyanurate, and preparation process and use of the same MITSUI TOATSU CHEMICALS (JP) 1996-01-24 EP claimed
JP-4226965-A None JP disclosed
JP-4033969-A None JP disclosed
JP-4028782-A None JP disclosed
JP-4028780-A None JP disclosed
JP-11302351-A None JP disclosed
JP-11343325-A None JP disclosed
JP-4085319-A None JP disclosed
JP-4085320-A None JP disclosed
JP-H09176265-A URETHANE PREPOLYMER MITSUI TOATSU CHEM INC 1997-07-08 JP disclosed
EP-0719848-A2 Powder paint compositions MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-07-03 EP disclosed
JP-H04226965-A POLYISOCYANATO-ISOCYANURATE AND ITS PRODUCTION AND USE MITSUI TOATSU CHEM INC 1992-08-17 JP disclosed
JP-H0485319-A RESIN COMPOSITION MITSUI TOATSU CHEM INC 1992-03-18 JP disclosed
JP-H0485320-A RESIN COMPOSITION MITSUI TOATSU CHEM INC 1992-03-18 JP disclosed
JP-H0433969-A CATION ELECTRODEPOSITION COMPOSITION MITSUI TOATSU CHEM INC 1992-02-05 JP disclosed
JP-H0428780-A ALKYD RESIN COATING DAINIPPON INK & CHEM INC 1992-01-31 JP disclosed
JP-H0428782-A RESIN FOR NON-YELLOWING POLYURETHANE COATING HAVING EXCELLENT WEATHER RESISTANCE MITSUI TOATSU CHEM INC 1992-01-31 JP disclosed