SCHEMBL320579

SCHEMBL320579

CCC(CC)C(O)O

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
SCHEMBL2115370 0.82
SCHEMBL9216282 0.79
SCHEMBL8387385 0.79
SCHEMBL27757358 0.77 TSHR (0.35)
SCHEMBL7124747 0.77 LMNA (0.39)
SCHEMBL1249677 0.77 KDM4E (0.37)
SCHEMBL7156294 0.77 TSHR (0.42)
SCHEMBL4885233 0.75 TSHR (0.47)
SCHEMBL423728 0.75 ALDH1A1 (0.44)
SCHEMBL3228663 0.75 TSHR (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112646105-B Method for preparing polyurethane foam from BDO byproducts and application of method 迪邦(泸州)化工有限公司 2023-07-04 CN claimed
WO-2006119104-A2 PROCESS FOR PREPARING ISATINS WITH CONTROL OF SIDE-PRODUCT FORMATION WYETH (US) 2006-11-09 WO claimed
US-20060247442-A1 Process for preparing isatins with control of side-product formation WYETH (US) 2006-11-02 US claimed
US-12624180-B2 In-situ formation of low density thermoplastic polyurethane flexible foams HUNTSMAN INTERNATIONAL LLC 2026-05-12 US disclosed
EP-4543956-A1 FLEXIBLE AND SEMI-RIGID POLYIMIDE COMPRISING FOAMS WITH SUPERIOR HEAT RESISTANCE Huntsman International LLC (US) 2025-04-30 EP disclosed
EP-4352124-B1 OPEN CELL FLEXIBLE ISOCYANATE-BASED FOAMS HAVING A LOW EXOTHERM DURING FOAMING HUNTSMAN INT LLC (US) 2025-04-23 EP disclosed
CN-119452008-A Flexible and semi-rigid polyimide containing foams with excellent heat resistance 亨斯迈国际有限责任公司 2025-02-14 CN disclosed
WO-2025022124-A2 METHODS FOR DEPOLYMERISING AND REPOLYMERISING Epoch Biodesign Ltd (GB) 2025-01-30 WO disclosed
EP-4467612-A2 IN-SITU FORMATION OF LOW DENSITY THERMOPLASTIC POLYURETHANE FLEXIBLE FOAMS Huntsman International LLC (US) 2024-11-27 EP disclosed
US-12129349-B2 Method for producing expanded thermoplastic polymers with controlled density HUNTSMAN INTERNATIONAL LLC 2024-10-29 US disclosed
US-20240279379-A1 OPEN CELL FLEXIBLE ISOCYANATE-BASED FOAMS HAVING A LOW EXOTHERM DURING FOAMING HUNTSMAN INTERNATIONAL LLC 2024-08-22 US disclosed
EP-0461120-A1 COATING COMPOSITION BASED ON AN ADDITION POLYMER CONTAINING HYDROXYL GROUPS AND ON AN AMINOPLASTIC RESIN CROSSLINKING AGENT, CONTAINING ACID CATALYSTS WITH HYDROXYL GROUPS BASF Lacke + Farben AG (DE) 1991-12-18 EP disclosed
EP-0246646-B1 PROCESS FOR THE PREPARATION OF 4-ACETALS OF 1,4-BUTENE DIAL, AND ACETALS OF 1,4-BUTENE DIAL BASF Aktiengesellschaft (DE) 1991-01-09 EP disclosed
WO-1990010039-A1 COATING COMPOSITION BASED ON AN ADDITION POLYMER CONTAINING HYDROXYL GROUPS AND ON AN AMINOPLASTIC RESIN CROSSLINKING AGENT, CONTAINING ACID CATALYSTS WITH HYDROXYL GROUPS BASF LACKE + FARBEN AKTIENGESELLSCHAFT (DE) 1990-09-07 WO disclosed
EP-0385527-A1 Coating composition based on an addition polymer containing hydroxy groups and an aminoplast resin cross-linking agent containing acid catalysts with hydroxy groups BASF Lacke + Farben AG (DE) 1990-09-05 EP disclosed
US-4812368-A IMPREGNATING FOAM WITH POLYISOCYANATES BASF AKTIENGESELLSCHAFT (DE) 1989-03-14 US disclosed
US-4778830-A POLY(UREA)URETHANE ELASTOMER BASF AKTIENGESELLSCHAFT (DE) 1988-10-18 US disclosed
EP-0276465-A2 Process for producing light flat articles using aqueous dispersions or emulsions of organic compounds containing NCO groups, and the articles thus prepared BASF Aktiengesellschaft (DE) 1988-08-03 EP disclosed
EP-0271789-A2 Polyester polyols based on 2-methyl pentane diol-1,5, 2-ethyl butane diol-1,4, 2-methyl glutaric acid and/or 2-ethyl succinic acid, liquid at room temperature, and the resultant dicarbonic-acid derivatives, process for their preparation and their use in the preparation of synthetics by the polyisocyanate polyaddition process BASF Aktiengesellschaft (DE) 1988-06-22 EP disclosed
US-4283540-A ETHERIFICATION OF A CATIONIC DYE WITH A POLYHYDRIC ALCOHOL BAYER AKTIENGESELLSCHAFT (DE) 1981-08-11 US disclosed