SCHEMBL5684100

SCHEMBL5684100

CC1C=C(C=O)CC(=O)C1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL5685411 0.77 TRPA1 (0.30)
SCHEMBL10709792 0.71
SCHEMBL27949322 0.68
SCHEMBL1785577 0.67
SCHEMBL14293175 0.66
SCHEMBL9445804 0.64
SCHEMBL351712 0.63
SCHEMBL28000559 0.63
SCHEMBL20981792 0.62 CA1 (0.35)
SCHEMBL15314075 0.60

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0895984-B1 ALICYCLIC POLYAMINES AND PROCESS FOR THE PREPARATION THEREOF DAICEL CHEM (JP) 2006-04-12 EP disclosed
US-6215031-B1 REDUCING 3-FORMYLCYCLOALKANONE OR 3-FORMYLCYCLOALKENONE;3-HYDROXYMETHYL-5,5-DIMETHYLCYCLOHEXANOL DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-10 US disclosed
US-6100430-A ALICYCLIC COMPOUND CONTAINING TWO PRIMARY, SECONDARY AND/OR TERTIARY AMINO GROUPS AND HAVING A CARBON ATOM IN THE RING SUBSTITUTED WITH TWO ALKYL GROUPS; MAKING BY REDUCTIVE AMINATION OF A 3-FORMYLCYCLOALKENONE OR 3-FORMYLCYCLOALKANONE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-08 US disclosed
EP-0976723-A2 A cycloaliphatic polyisocyanate compound, a process for the preparation thereof, a polyurethane therefrom, and an adhesive composition Daicel Chemical Industries, Ltd. (JP) 2000-02-02 EP disclosed
EP-0895984-A1 ALICYCLIC POLYAMINES AND PROCESS FOR THE PREPARATION THEREOF DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-02-10 EP disclosed
EP-0895980-A1 3-HYDROXYMETHYLCYCLOALKANOLS AND PROCESS FOR PRODUCING THEM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-02-10 EP disclosed