SCHEMBL182005

SCHEMBL182005

CC(=O)CC(=O)C(C)C

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL28950255 0.97 ALDH1A1 (0.41)
SCHEMBL29046837 0.97 ALDH1A1 (0.41)
SCHEMBL29053222 0.97 ALDH1A1 (0.41)
SCHEMBL28670785 0.97 ALDH1A1 (0.41)
SCHEMBL11742055 0.97 ALDH1A1 (0.41)
SCHEMBL29309460 0.86 KDM4E (0.42)
SCHEMBL2238012 0.83 TDP1 (0.38)
SCHEMBL181668 0.83 CYP2D6 (0.36)
SCHEMBL7142603 0.80 CYP2D6 (0.35)
SCHEMBL9282807 0.80 CYP2D6 (0.35)

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 1363 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4702030-A1 CATALYSTS FOR ROOM TEMPERATURE VULCANISABLE (RTV) SILICONE COMPOSITIONS Dow Silicones Corporation (US) 2026-03-04 EP claimed
EP-4702029-A1 CATALYSTS FOR ROOM TEMPERATURE VULCANISABLE (RTV) SILICONE COMPOSITIONS Dow Silicones Corporation (US) 2026-03-04 EP claimed
US-20250145823-A1 FOAM-FORMING COMPOSITIONS CONTAINING A METAL CARBOXYLATE CATALYST, RELATED FOAMS AND METHODS FOR THEIR PRODUCTION COVESTRO LLC 2025-05-08 US claimed
US-20250051507-A1 Polyol Composition COVESTRO DEUTSCHLAND AG (DE) 2025-02-13 US claimed
EP-4267643-B1 A METHOD FOR STABLY STORING AN ISOCYANATE COMPOSITION COVESTRO DEUTSCHLAND AG (DE) 2025-01-01 EP claimed
WO-2024221367-A1 CATALYSTS FOR ROOM TEMPERATURE VULCANISABLE (RTV) SILICONE COMPOSITIONS DOW SILICONES CORPORATION (US) 2024-10-31 WO claimed
WO-2024221368-A1 CATALYSTS FOR ROOM TEMPERATURE VULCANISABLE (RTV) SILICONE COMPOSITIONS DOW SILICONES CORPORATION (US) 2024-10-31 WO claimed
EP-4448609-A1 POLYOL COMPOSITION Covestro Deutschland AG (DE) 2024-10-23 EP claimed
CN-118434787-A Polyol composition 科思创德国股份有限公司 2024-08-02 CN claimed
US-20240124680-A1 A METHOD FOR STABLY STORING AN ISOCYANATE COMPOSITION COVESTRO DEUTSCHLAND AG (DE) 2024-04-18 US claimed
US-5426245-A Reacting aromatic compound with oxygen and hydrogen in liquid phase, catalyst of noble metal of group 8 supported on carrier in presence of vanadium compound TOSOH CORPORATION (JP) 1995-06-20 US claimed
EP-0638536-A1 Process for producing phenols TOSOH CORPORATION (JP) 1995-02-15 EP claimed
US-5331086-A Deashing process for polyolefins using an alpha,beta-unsaturated ketone PHILLIPS PETROLEUM COMPANY (US) 1994-07-19 US claimed
EP-0387118-B1 Process for the condensation of at least one epoxide with at least one cyclic anhydride in the presence of a catalyst based on at least one titanium complex INST FRANCAIS DU PETROLE (FR) 1994-04-20 EP claimed
EP-0102720-B1 POLYURETHANE COATING OR ADHESIVE COMPOSITIONS AND METHODS OF USING THEM ROHM AND HAAS COMPANY (US) 1988-07-13 EP claimed
EP-0102720-A1 Polyurethane coating or adhesive compositions and methods of using them ROHM AND HAAS COMPANY (US) 1984-03-14 EP claimed
US-4426510-A Polyurethane preparation using organo-zinc catalyst and time-lapse modifier ROHM AND HAAS COMPANY (US) 1984-01-17 US claimed
US-4087256-A REACTING ALPHATIC POLYAMINE WITH BETA-DIKETONE, REACTING RESULTING PRODUCT WITH SALICYLALDEHYDE, PREVENTING OXIDATIVE DEGRADATION OR COPPER-MERCAPTAN GELATION ASHLAND OIL, INC. (US) 1978-05-02 US claimed
US-4065498-A REACTING 1,2-ALKANEDIAMINE AND A 2,4-DIONE ASHLAND OIL, INC. (US) 1977-12-27 US claimed
US-4022835-A ALIPHATIC POLYAMINES, BETA-DIKETONE, SALICYLALDEHYDE ASHLAND OIL, INC. (US) 1977-05-10 US claimed