SCHEMBL483531

SCHEMBL483531

CC(C)(C=O)C=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
SCHEMBL17581131 0.76
SCHEMBL690234 0.76
SCHEMBL6263060 0.76
SCHEMBL3261673 0.74 TDP1 (0.38)
SCHEMBL2619 0.74
SCHEMBL2162533 0.73
SCHEMBL11327127 0.71
SCHEMBL17707871 0.70
SCHEMBL4883615 0.70
SCHEMBL2154678 0.70 TDP1 (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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116925413-A Anticoagulant biological material and preparation method thereof 上海鸿脉医疗科技有限公司 2023-10-24 CN claimed
CN-111822050-B Carbonylation reaction catalyst composition and method for preparing neopentyl glycol 万华化学集团股份有限公司 2022-07-12 CN claimed
CN-111822050-A Carbonylation reaction catalyst composition and method for preparing neopentyl glycol 万华化学集团股份有限公司 2020-10-27 CN claimed
EP-2651875-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS Sika Technology AG (CH) 2013-10-23 EP claimed
WO-2012080264-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2012-06-21 WO claimed
JP-59141576-A None JP disclosed
JP-60130583-A None JP disclosed
JP-59210079-A None JP disclosed
CN-116925413-A Anticoagulant biological material and preparation method thereof 上海鸿脉医疗科技有限公司 2023-10-24 CN disclosed
US-20230143425-A1 IMPROVEMENTS RELATED TO SORBENT MEDIA GENESIS SYSTEMS LLC 2023-05-11 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-111822050-B Carbonylation reaction catalyst composition and method for preparing neopentyl glycol 万华化学集团股份有限公司 2022-07-12 CN disclosed
US-5030729-A Stabilizing Polyolefins Against Oxidative, Thermal And-Or Light Induced Degradation CIBA-GEIGY CORPORATION (US) 1991-07-09 US disclosed
EP-0205042-B1 BIS(CYCLIC CARBONATES), PRECURSORS THEREOF, AND POLYCARBONATE COMPOSITIONS CONTAINING THEM GENERAL ELECTRIC COMPANY (US) 1990-01-17 EP disclosed
US-4636559-A CROSSLINKING, DRIP RESISTANT, FIRE PROOFING AGENTS GENERAL ELECTRIC COMPANY (US) 1987-01-13 US disclosed
EP-0205042-A1 Bis(cyclic carbonates), precursors thereof, and polycarbonate compositions containing them GENERAL ELECTRIC COMPANY (US) 1986-12-17 EP disclosed
JP-S60130583-A UNSATURATED CARBOXYLIC ACID ESTER AND ITS PRODUCTION NIPPON KAYAKU CO LTD 1985-07-12 JP disclosed
JP-S59210079-A DI(METH)ACRYLIC ACID ESTER AND ITS PREPARATION NIPPON KAYAKU CO LTD 1984-11-28 JP disclosed
JP-S59141576-A NOVEL (METH)ACRYLIC ACID ESTER AND ITS PREPARATION NIPPON KAYAKU CO LTD 1984-08-14 JP disclosed
US-4447431-A VIRICIDES, ANTIINFLAMMATORY AND SUNCREEN AGENT CIBA-GEIGY CORPORATION (US) 1984-05-08 US disclosed