⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3128245 | 1.00 | — | — | |
| SCHEMBL158857 | 1.00 | — | — | |
| SCHEMBL14374129 | 0.87 | GLI1 (0.44) | — | |
| SCHEMBL10751453 | 0.85 | GLI1 (0.42) | — | |
| Benzoic Acid SCHEMBL9530365 | 0.83 | TSHR (0.44) | — | |
| Butyric Acid SCHEMBL28704354 | 0.83 | FFAR3 (0.41) | — | |
| Pidolic Acid SCHEMBL27699494 | 0.81 | CAD (0.41) | — | |
| Pidolic Acid SCHEMBL22325272 | 0.79 | SMN1; SMN2 (0.40) | — | |
| Pidolic Acid SCHEMBL28952725 | 0.79 | CAD (0.40) | — | |
| Pidolic Acid SCHEMBL28073235 | 0.79 | CAD (0.40) | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102250014-B | Method for preparing chiral 1-benzyloxycarbonyl hexahydropyridazine-3-carboxylic acid and chiral 1, 2-dibenzyloxycarbonyl hexahydropyridazine-3-carboxylic acid | SHANGHAI AOBO BIO PHARMACEUTICAL TECH CO LTD | 2013-11-13 | — | — | CN | claimed |
| CN-102250014-A | Method for preparing chiral 1-benzyloxycarbonyl hexahydropyridazine-3-carboxylic acid and chiral 1, 2-dibenzyloxycarbonyl hexahydropyridazine-3-carboxylic acid | SHANGHAI AOBO BIO PHARMACEUTICAL TECH CO LTD | 2011-11-23 | — | — | CN | claimed |
| JP-2142768-A | — | — | None | — | — | JP | disclosed |
| EP-3740481-B1 | DIHYDROBENZOFURAN AND INDEN ANALOGS AS CARDIAC SARCOMERE INHIBITORS | CYTOKINETICS INC (US) | 2024-06-26 | — | — | EP | disclosed |
| CN-102250014-B | Method for preparing chiral 1-benzyloxycarbonyl hexahydropyridazine-3-carboxylic acid and chiral 1, 2-dibenzyloxycarbonyl hexahydropyridazine-3-carboxylic acid | SHANGHAI AOBO BIO PHARMACEUTICAL TECH CO LTD | 2013-11-13 | — | — | CN | disclosed |
| EP-2454257-A1 | PYRROLOPYRIDINE INHIBITORS OF KINASES | Abbott Laboratories (US) | 2012-05-23 | — | — | EP | disclosed |
| CN-101511787-B | Substituted N-phenylmethyl-5-oxo-proline-2-amides as P2X 7-receptor antagonists and methods of their use | GLAXO GROUP LTD. (GB) | 2011-11-30 | — | — | CN | disclosed |
| CN-102250014-A | Method for preparing chiral 1-benzyloxycarbonyl hexahydropyridazine-3-carboxylic acid and chiral 1, 2-dibenzyloxycarbonyl hexahydropyridazine-3-carboxylic acid | SHANGHAI AOBO BIO PHARMACEUTICAL TECH CO LTD | 2011-11-23 | — | — | CN | disclosed |
| WO-2011008915-A1 | PYRROLOPYRIDINE INHIBITORS OF KINASES | ABBOTT LABORATORIES (US) | 2011-01-20 | — | — | WO | disclosed |
| CN-101511787-A | Substituted N-phenylmethyl-5-oxo-proline-2-amides as P2X 7-receptor antagonists and methods of their use | GLAXO GROUP LTD (GB) | 2009-08-19 | — | — | CN | disclosed |
| US-7456169-B2 | Heterocyclic kinase inhibitors | ABBOTT LABORATORIES INC. (US) | 2008-11-25 | — | — | US | disclosed |
| US-20070254867-A1 | Heterocyclic Kinase Inhibitors | ABBVIE INC. | 2007-11-01 | — | — | US | disclosed |
| US-20040254159-A1 | Heterocyclic kinase inhibitors | ABBOTT LABORATORIES | 2004-12-16 | — | — | US | disclosed |
| JP-H02142768-A | PRODUCTION OF (R)-2-PYRROLIDINEMETHANAMINES | DENKI KAGAKU KOGYO KK | 1990-05-31 | — | — | JP | disclosed |