SCHEMBL2805443

SCHEMBL2805443

N[C@@]1(C(=O)O)CCOC1

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
SCHEMBL16868374 1.00
SCHEMBL185263 1.00
Hydrochloric Acid SCHEMBL3032015 0.98 NSD2 (0.39)
SCHEMBL29955088 0.86 NSD2 (0.38)
SCHEMBL29954390 0.86 NSD2 (0.38)
SCHEMBL7123682 0.86 NSD2 (0.38)
SCHEMBL158602 0.85 NSD2 (0.44)
Hydrochloric Acid SCHEMBL2003747 0.83 NSD2 (0.42)
SCHEMBL3658341 0.79
SCHEMBL13012313 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719602-A1 ANTI-HIV COMPOUNDS GILEAD SCIENCES, INC. (US) 2026-04-08 EP disclosed
US-20250051375-A1 ANTI-HIV COMPOUNDS GILEAD SCIENCES, INC. 2025-02-13 US disclosed
WO-2024249517-A1 ANTI-HIV COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-12-05 WO disclosed
US-20240254140-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2024-08-01 US disclosed
EP-4405352-A1 NEW COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2024-07-31 EP disclosed
CN-117980303-A Novel compounds and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2024-05-03 CN disclosed
WO-2023041756-A1 NEW COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2023-03-23 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-8901127-B2 Pyridazin derivatives as antagonists of the bradykinin B1 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-02 US disclosed
US-20140038977-A1 PYRIDAZIN DERIVATIVES AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-06 US disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20130005962-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-03 US disclosed
US-20100317848-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2008080891-A2 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-10 WO disclosed