SCHEMBL3864019

SCHEMBL3864019

CC(Br)=C(C)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
SCHEMBL3789960 1.00
SCHEMBL7046631 1.00
SCHEMBL9812361 0.79
SCHEMBL10661623 0.76 FFAR3 (0.55)
SCHEMBL10661655 0.76 FFAR3 (0.55)
SCHEMBL141678 0.76 FFAR3 (0.55)
SCHEMBL105998 0.76 FFAR3 (0.55)
SCHEMBL105999 0.76 FFAR3 (0.55)
SCHEMBL9306774 0.76 FFAR3 (0.38)
SCHEMBL8081158 0.76 FFAR3 (0.38)

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383377-B1 COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE PROCTER & GAMBLE (US) 2024-04-17 EP disclosed
EP-3383377-A1 COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE The Procter and Gamble Company (US) 2018-10-10 EP disclosed
WO-2017095975-A1 COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE THE PROCTER & GAMBLE COMPANY (US) 2017-06-08 WO disclosed
US-20170152222-A1 COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE THE PROCTER & GAMBLE COMPANY 2017-06-01 US disclosed
US-7541349-B2 2-methylene-19-nor-(23S)-25-dehydro-1α-hydroxyvitamin D3-26,23-lactone and 2-methylene-19-nor-(23R)-25-dehydro-1α-hydroxyvitamin D3-26,23-lactone WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-06-02 US disclosed
EP-1865965-A1 2-METHYLENE-19-NOR-(23S)-25-DEHYDRO-1 -HYDROXYVITAMIN D3-26,23-LACTONE AND 2-METHYLENE-19-NOR-(23R)-25-DEHYDRO-1 -HYDROXYVITAMIN D3-26,23-LACTONE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-12-19 EP disclosed
US-20070259953-A1 2-METHYLENE-19-NOR-(23S)-25-DEHYDRO-1ALPHA-HYDROXYVITAMIN D3-26,23-LACTONE AND 2-METHYLENE-19-NOR-(23R)-25-DEHYDRO-1ALPHA-HYDROXYVITAMIN D3-26,23-LACTONE DELUCA HECTOR F 2007-11-08 US disclosed
US-7235680-B2 2-methylene-19-nor-(23S)-25-dehydro-1α-hydroxyvitamin D3-26,23-lactone and 2-methylene-19-nor-(23R)-25-dehydro-1α-hydroxyvitamin D3-26,23-lactone WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-06-26 US disclosed
WO-2006105221-A1 2-METHYLENE-19-NOR-(23S)-25-DEHYDRO-1α-HYDROXYVITAMIN D3-26,23-LACTONE AND 2-METHYLENE-19-NOR-(23R)-25-DEHYDRO-1α-HYDROXYVITAMIN D3-26,23-LACTONE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2006-10-05 WO disclosed
US-20060223782-A1 2-Methylene-19-nor-(23S)-25-dehydro-1alpha-hydroxyvitamin D3-26,23-lactone and 2-methylene-19-nor-(23R)-25-dehydro-1alpha-hydroxyvitamin D3-26,23-lactone WISCONSIN ALUMNI RESEARCH FOUNDATION 2006-10-05 US disclosed
US-20030236397-A1 Process for preparing beta-L-2'deoxy-thymidine BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-25 US disclosed
WO-2003087118-A2 METHOD FOR PRODUCING BETA-L-2'DEOXY-THYMIDINE BOEHRINGER INGELHEIM PHARMA GMBH & CO.KG (DE) 2003-10-23 WO disclosed
US-5717128-A HEATING AN ESTER OF 2-HYDROXY-2-METHYL-3-BUTENOIC ACID WITH PHOSPHOROUS BROMIDE OR CHLORIDE; THEN WITH TRIALKYL ESTER OF PHOSPHOROUS ACID BASF AKTIENGESELLSCHAFT (DE) 1998-02-10 US disclosed
US-4128554-A Process for the preparation of carboxylic acid amides from organic halides UNIVERSITY OF DELAWARE (US) 1978-12-05 US disclosed