SCHEMBL2268705

SCHEMBL2268705

O=C(O)C[C@H](Br)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
SCHEMBL16111864 1.00 ALDH1A1 (0.55)
SCHEMBL19284195 1.00
SCHEMBL180137 1.00
SCHEMBL7139174 0.97 ALDH1A1 (0.52)
SCHEMBL23045217 0.77
SCHEMBL2888895 0.77 SLC22A6 (0.41)
SCHEMBL9855052 0.77
SCHEMBL9854874 0.77
SCHEMBL30315700 0.77
SCHEMBL7271862 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117143053-A Preparation method of (R) - (-) -3-hydroxytetrahydrofuran 中国海洋大学 2023-12-01 CN claimed
US-20230399314-A1 CD73 INHIBITOR AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-12-14 US disclosed
US-20230399314-A1 CD73 INHIBITOR AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-12-14 US disclosed
US-20230399314-A1 CD73 INHIBITOR AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-12-14 US disclosed
CN-117143053-A Preparation method of (R) - (-) -3-hydroxytetrahydrofuran 中国海洋大学 2023-12-01 CN disclosed
EP-4242204-A1 CD73 INHIBITOR AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-09-13 EP disclosed
EP-4242204-A1 CD73 INHIBITOR AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-09-13 EP disclosed
US-11464853-B2 Amino acid and peptide conjugates and conjugation process AUCKLAND UNISERVICES LIMITED (NZ) 2022-10-11 US disclosed
WO-2022095975-A1 CD73 INHIBITOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-05-12 WO disclosed
WO-2022095975-A1 CD73 INHIBITOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-05-12 WO disclosed
US-6689741-B2 DRUGS, MEDICAL DIAGNOSIS BARRITAULT DENIS (FR) 2004-02-10 US disclosed
US-6677476-B1 REDUCING HALO- OR SULFONYLOXY-SUCCINIC ACID OR DERIVATIVE WITH SUITABLE REDUCING AGENT, TREATING WITH BASE AND THEN WITH TRIMETHYLAMINE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-01-13 US disclosed
CN-1352630-A Process for preparing R-(-)-carnitine S-(-)-chlorosuccinic acid or from a derivative thereof SIGMA TAU IND FARMACEUTI (IT) 2002-06-05 CN disclosed
EP-1187805-A1 PROCESS FOR PREPARING R-(-)-CARNITINE FROM S-(-)-CHLOROSUCCINIC ACID OR FROM A DERIVATIVE THEREOF Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2002-03-20 EP disclosed
US-20010021758-A1 Drugs, medical diagnosis BARRITAULT DENIS (FR) 2001-09-13 US disclosed
WO-2000069808-A1 PROCESS FOR PREPARING R-(-)-CARNITINE FROM S-(-)-CHLOROSUCCINIC ACID OR FROM A DERIVATIVE THEREOF SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2000-11-23 WO disclosed
US-5319103-A Intermediate diastereomeric 5R,6S-6-(1R-hydroxyethyl)-2-(cis-1-oxo-3-thiolanylthio)-2-penem-carboxylic acids PFIZER INC. (US) 1994-06-07 US disclosed
US-5191077-A Diastereomeric 5R,6S-6-(1R-hydroxyethyl)-2-(cis-1-oxo-3-thiolanylthio)-2-penem-3-carboxylic acids PFIZER INC. (US) 1993-03-02 US disclosed
US-5013729-A Diastereomeric 5R,6S-6-(1R-hydroxyethyl)-2-(cis-1-oxo-3-thiolanylthio)-2-penem-3-carboxylic acids PFIZER INC. (US) 1991-05-07 US disclosed
WO-1988008845-A1 DIASTEREOMERIC 5R,6S-6-(1R-HYDROXYETHYL)-2-(CIS-1-OXO-3-THIOLANYLTHIO)-2-PENEM-3-CARBOXYLIC ACIDS PFIZER INC. (US) 1988-11-17 WO disclosed