SCHEMBL45005

SCHEMBL45005

C=CCC(CO)CO

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
SCHEMBL369762 0.93
Butane SCHEMBL8140546 0.89 ALDH1A1 (0.37)
SCHEMBL4625271 0.88 TSHR (0.37)
SCHEMBL9284591 0.83
SCHEMBL2541103 0.83
SCHEMBL25276063 0.83
SCHEMBL17078026 0.83
SCHEMBL731752 0.83
SCHEMBL18222618 0.79
SCHEMBL12186681 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119591770-A Organic polymer carrier, Z-N catalyst, and preparation method and application thereof 中国石油天然气股份有限公司 2025-03-11 CN claimed
CN-117700671-A Biomass polylactic acid-based waterborne polyurethane, biomass polylactic acid-based waterborne polyurethane elastomer and preparation methods of biomass polylactic acid-based waterborne polyurethane and biomass polylactic acid-based waterborne polyurethane elastomer 安徽大学绿色产业创新研究院 2024-03-15 CN claimed
CN-111018664-B Synthesis method of 2-alkyl-1, 3-propanediol compound 江苏广域化学有限公司 2023-04-14 CN claimed
CN-110713577-B Expansion monomer modified light-cured resin and preparation method thereof 点铂医疗科技(常州)有限公司 2022-05-27 CN claimed
CN-109160996-B Polyurethane aqueous emulsion, condom and preparation method thereof 四川大学 2020-09-18 CN claimed
CN-109160990-B Alkyl side chain modified polyurethane aqueous emulsion, preparation method thereof and application thereof in polyurethane condom 四川大学 2020-09-18 CN claimed
CN-111072622-A Synthesis method of acetal compound of 3-halogenopropionaldehyde 江苏广域化学有限公司 2020-04-28 CN claimed
CN-111018664-A Synthesis method of 2-alkyl-1, 3-propanediol compound 江苏广域化学有限公司 2020-04-17 CN claimed
CN-110713577-A Expansion monomer modified light-cured resin and preparation method thereof 点铂医疗科技(常州)有限公司 2020-01-21 CN claimed
EP-2591040-B1 ALKYD RESIN PERSTORP AB (SE) 2019-08-14 EP claimed
WO-2001044377-A1 COATING COMPOSITION AND NOVEL THIOL INCLUDED THEREIN PERSTORP SPECIALTY CHEMICALS AB (SE) 2001-06-21 WO claimed
WO-2000064975-A1 PROCESS FOR PRODUCTION OF AN ACRYLATE COMPOSITION PERSTORP AB (SE) 2000-11-02 WO claimed
WO-2000058247-A1 A FORMALDEHYDE REDUCED POLYOL PROCESS PERSTORP AB (SE) 2000-10-05 WO claimed
WO-2000058246-A1 A FORMALDEHYDE AND FORMATE REDUCED POLYOL PROCESS PERSTORP AB (SE) 2000-10-05 WO claimed
WO-2000031211-A1 LIQUID CRYSTAL COMPOUND ROLIC AG (CH) 2000-06-02 WO claimed
WO-2000031012-A1 PROCESS FOR PRODUCTION OF AN ALLYLOXY CARBOXYLIC ACID PERSTORP AB (SE) 2000-06-02 WO claimed
WO-2000018751-A1 NOVEL PRIMARY EPOXIDES PERSTORP AB (SE) 2000-04-06 WO claimed
US-5240835-A Reacting unsaturated ester with a polyol in presence of biocatalyst derived from Corynebacterium oxydans GENENCOR INTERNATIONAL, INC. (US) 1993-08-31 US claimed
EP-0280232-B1 MONOACETYLATION OF DIOLS USING A BIOCATALYST FROM CORYNEBACTERIUM OXYDANS GENENCOR INTERNATIONAL, INC. (US) 1993-02-10 EP claimed
EP-0280232-A2 Monoacetylation of diols using a biocatalyst from corynebacterium oxydans GENENCOR INTERNATIONAL, INC. (US) 1988-08-31 EP claimed