SCHEMBL9736579

SCHEMBL9736579

CC1CC(CC2CCC(N=C=O)CC2)CC(C)C1N=C=O

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.30

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
SCHEMBL9736351 0.88 ALDH1A1 (0.33) ALDH1A1
SCHEMBL539189 0.88
SCHEMBL10507925 0.82 ALDH1A1 (0.37) ALDH1A1
SCHEMBL6318341 0.82 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL7192102 0.82 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL23743495 0.82 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL8733246 0.82 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL5903114 0.82 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL10507329 0.82 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL5902920 0.82 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108974-B Hard polyurethane insulation board for transportation carriage body and preparation method thereof 青岛雅凯汽车工贸有限公司 2024-09-20 CN disclosed
CN-118108974-A Hard polyurethane insulation board for transportation carriage body and preparation method thereof 青岛雅凯汽车工贸有限公司 2024-05-31 CN disclosed
US-5175230-A Form polyurethanes with extended pot life, improved heat resistance and tensile strength AIR PRODUCTS AND CHEMICALS, INC. (US) 1992-12-29 US disclosed
EP-0104551-B1 CYCLOALIPHATIC DIISOCYANATES, POSSIBLY IN THE FORM OF A MIXTURE OF ISOMERS, METHOD FOR THEIR PREPARATION AND THEIR USE AS STARTING PRODUCTS IN THE PREPARATION OF SYNTHETIC PRODUCTS OF THE POLYURETHANE TYPE BAYER AG (DE) 1985-11-13 EP disclosed
EP-0104551-A1 Cycloaliphatic diisocyanates, possibly in the form of a mixture of isomers, method for their preparation and their use as starting products in the preparation of synthetic products of the polyurethane type BAYER AG (DE) 1984-04-04 EP disclosed