SCHEMBL441317

SCHEMBL441317

COC(C)CC=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
SCHEMBL12316571 1.00
SCHEMBL10494403 0.97
SCHEMBL11264461 0.97
SCHEMBL8352154 0.92
SCHEMBL29954359 0.78
SCHEMBL10748168 0.74
SCHEMBL4406957 0.74
SCHEMBL8813582 0.73
SCHEMBL2854937 0.73
SCHEMBL591736 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117120476-A Antibodies specific for structurally disordered sequences XL-普洛坦公司 2023-11-24 CN claimed
EP-4267628-A1 ANTIBODIES SPECIFIC FOR STRUCTURALLY DISORDERED SEQUENCES XL-protein GmbH (DE) 2023-11-01 EP claimed
CN-112225645-B Preparation method of m-cresol 万华化学集团股份有限公司 2022-08-05 CN claimed
WO-2022136582-A1 ANTIBODIES SPECIFIC FOR STRUCTURALLY DISORDERED SEQUENCES XL-PROTEIN GMBH (DE) 2022-06-30 WO claimed
CN-112225645-A Preparation method of m-cresol 万华化学集团股份有限公司 2021-01-15 CN claimed
US-20200282071-A1 CONJUGATES OF PROTEIN DRUGS AND P/A PEPTIDES XL-PROTEIN GMBH (DE) 2020-09-10 US claimed
EP-3641827-A1 CONJUGATES OF PROTEIN DRUGS AND P/A PEPTIDES XL-protein GmbH (DE) 2020-04-29 EP claimed
CN-110891612-A Conjugates of protein drugs and P/A peptides XL-蛋白有限责任公司 2020-03-17 CN claimed
WO-2018234455-A1 CONJUGATES OF PROTEIN DRUGS AND P/A PEPTIDES XL-PROTEIN GMBH (DE) 2018-12-27 WO claimed
CN-102203108-B Process for preparing amines from alcohols and ammonia YEDA RESEARCH AND DEVELOPMENT CO.,LTD. (IL) 2014-10-22 CN claimed
CN-102203108-A Process for preparing amines from alcohols and ammonia YEDA RES & DEV 2011-09-28 CN claimed
EP-1567567-B1 LOW POLYDISPERSITY POLY-HEMA COMPOSITIONS JOHNSON & JOHNSON VISION CARE (US) 2010-09-08 EP claimed
EP-1817309-B1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-23 EP claimed
EP-0004714-B1 RESINOUS POLYMERIC SUBSTANCES, THEIR PREPARATION FROM A CARBONYL COMPOUND AND AN AMINE OR AMMONIA AND THEIR USE IN FROTH FLOTATION NATIONAL CHEMICAL PRODUCTS LIMITED (ZA) 1982-10-06 EP claimed
US-4330667-A ORGANONITROGEN POLYMERS USED FOR FROTH FLOTATION NATIONAL CHEMICAL PRODUCTS LIMITED (ZA) 1982-05-18 US claimed
CN-115650835-B Method for synthesizing n-heptanal from crotonaldehyde and allyl alcohol 万华化学集团股份有限公司 2024-05-03 CN disclosed
CN-117120476-A Antibodies specific for structurally disordered sequences XL-普洛坦公司 2023-11-24 CN disclosed
EP-0004714-A1 Resinous polymeric substances, their preparation from a carbonyl compound and an amine or ammonia and their use in froth flotation NATIONAL CHEMICAL PRODUCTS LIMITED (ZA) 1979-10-17 EP disclosed
EP-0000947-A1 3,4,5-Trihydroxypiperidine derivatives, process for their preparation and medicaments and fodder containing them BAYER AG (DE) 1979-03-07 EP disclosed
US-4128728-A Production of 2,3,6-trimethylphenol BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DE) 1978-12-05 US disclosed