SCHEMBL2446309

SCHEMBL2446309

CC1CC(C)(CN=C=O)CC(N=C=O)C1C

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL27401650 0.79 ALDH1A1 (0.55) ALDH1A1CYP3A4
SCHEMBL4668690 0.76 ALDH1A1 (0.55) ALDH1A1CYP3A4
SCHEMBL23837215 0.71 ALDH1A1 (0.60) ALDH1A1CYP3A4
SCHEMBL11041976 0.71 ALDH1A1 (0.60) ALDH1A1CYP3A4
SCHEMBL8664122 0.68 ALDH1A1 (0.39) ALDH1A1CYP3A4
SCHEMBL27401653 0.67 ALDH1A1 (0.51) ALDH1A1CYP3A4
SCHEMBL19924891 0.66
SCHEMBL374602 0.66 ALDH1A1 (0.53) ALDH1A1CYP3A4
SCHEMBL462575 0.66 ALDH1A1 (0.63) ALDH1A1CYP3A4
SCHEMBL31344447 0.66 ALDH1A1 (0.47) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4471103-A Two-package type pressure-sensitive adhesive composition prepared from a polyurethane containing a terminal-free isocyanate group and an oxadiazine-2,4,6-trione ring TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-09-11 US claimed
EP-0081693-A1 Two-package type pressure-sensitive adhesive composition Takeda Chemical Industries, Ltd. (JP) 1983-06-22 EP claimed
EP-1957594-B1 RADIATION-CURABLE WATER-EMULSIFIABLE POLYISOCYANATES BASF SE (DE) 2013-07-24 EP disclosed
US-8017720-B2 Sulfur-containing oligomers and high index polyurethanes prepared therefrom PPG INDUSTRIES OHIO, INC. (US) 2011-09-13 US disclosed
US-20090176103-A1 Gas Barrier Film TORAY INDUSTRIES, INC. (JP) 2009-07-09 US disclosed
EP-2011641-A1 GAS BARRIER FILM TORAY INDUSTRIES, INC. (JP) 2009-01-07 EP disclosed
EP-0120253-B1 OPTIONALLY FOAMED INTUMESCENT MASSES AND MOULDED ARTICLES PREPARED THEREFROM BAYER AG (DE) 1987-04-01 EP disclosed
US-4378443-A 2,2,6,6-Tetraalkyl-4-piperidyl-bix-spiro-ethers as light stabilizers for synthetic polymers ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1983-03-29 US disclosed
US-4366288-A POLYCARBODIIMIDES OR POLYURETONE IMINES BAYER AKTIENGESELLSCHAFT (DE) 1982-12-28 US disclosed
EP-0030594-B1 POWDERY COATING MATERIALS AND THEIR USE BAYER AG (DE) 1982-09-29 EP disclosed
EP-0030594-A1 Powdery coating materials and their use BAYER AG (DE) 1981-06-24 EP disclosed