SCHEMBL8040934

SCHEMBL8040934

CCCCCC(C)(CCCCC)C(=O)CC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FAAH O00519 8/20 0.38
EPHX1 P07099 1/20 0.37
CES1 P23141 5/20 0.36
GGPS1 O95749 2/20 0.36
CYP1A2 P05177 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FDPS P14324 1/20 0.36

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
SCHEMBL8061619 0.90 CES2 (0.40) CES2MEN1KMT2AMAPTATM
SCHEMBL22952840 0.90 CES2 (0.40) CES2MEN1KMT2AMAPTATM
SCHEMBL20169528 0.82 CES2 (0.42) CES2MEN1KMT2AMAPTATM
SCHEMBL22360655 0.80 CES2 (0.40) CES2MEN1KMT2AFAAHCES1
SCHEMBL24599562 0.79 SMPD1 (0.47) CES2MEN1KMT2AFAAHCES1
SCHEMBL23987201 0.79 SMPD1 (0.47) CES2MEN1KMT2AFAAHCES1
SCHEMBL22360687 0.79 CES2 (0.39) CES2MEN1KMT2AFAAHCES1
SCHEMBL19546267 0.79 GPR84 (0.42) CES2MEN1KMT2AHSD17B10
SCHEMBL19133167 0.78 CES2 (0.45) CES2MEN1KMT2AFAAHCES1
SCHEMBL19059501 0.78 CES2 (0.43) CES2MEN1KMT2AMAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4077455-B1 NON AQUEOUS CROSSLINKABLE COMPOSITION ALLNEX NETHERLANDS BV (NL) 2024-06-12 EP disclosed
EP-4359482-A1 NON AQUEOUS CROSSLINKABLE COMPOSITION Allnex Netherlands B.V. (NL) 2024-05-01 EP disclosed
US-20230183521-A1 NON-AQUEOUS CROSS-LINKABLE COMPOSITION ALLNEX RESINS (CHINA) CO., LTD. (CN) 2023-06-15 US disclosed
US-20230026705-A1 NON AQUEOUS CROSSLINKABLE COMPOSITION ALLNEX NETHERLANDS B.V. (NL) 2023-01-26 US disclosed
WO-2022268669-A1 NON AQUEOUS CROSSLINKABLE COMPOSITION ALLNEX NETHERLANDS B.V. (NL) 2022-12-29 WO disclosed
EP-3941957-A1 NON-AQUEOUS CROSSLINKABLE COMPOSITION Allnex Netherlands B.V. (NL) 2022-01-26 EP disclosed
WO-2021122978-A1 NON AQUEOUS CROSSLINKABLE COMPOSITION ALLNEX NETHERLANDS B.V. (NL) 2021-06-24 WO disclosed
WO-2020187928-A1 NON-AQUEOUS CROSSLINKABLE COMPOSITION ALLNEX NETHERLANDS BV (NL) 2020-09-24 WO disclosed
US-6084026-A MIXTURES OF HYDROXYL-CONTAINING POLYOLS, ISOCYANATE CROSSLINKERS, CATALYSTS, CARBOXYLIC OR SULFONIC ACIDS AND EXTENDERS(BETA-DICARBONYL COMPOUNDS, ALPHA-HYDROXY OR FUSED AROMATIC OR NITROGEN HETEROCYCLIC BETA-HYDROXY COMPOUNDS) ROHM AND HAAS COMPANY (US) 2000-07-04 US disclosed
EP-0882748-A2 Coating compositions having extented pot life and short cure time ROHM AND HAAS COMPANY (US) 1998-12-09 EP disclosed
EP-0102720-B1 POLYURETHANE COATING OR ADHESIVE COMPOSITIONS AND METHODS OF USING THEM ROHM AND HAAS COMPANY (US) 1988-07-13 EP disclosed
EP-0102720-A1 Polyurethane coating or adhesive compositions and methods of using them ROHM AND HAAS COMPANY (US) 1984-03-14 EP disclosed
US-4426510-A Polyurethane preparation using organo-zinc catalyst and time-lapse modifier ROHM AND HAAS COMPANY (US) 1984-01-17 US disclosed