⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4429215 | 0.82 | TBXAS1 (0.60) | — | |
| SCHEMBL28726885 | 0.78 | — | — | |
| SCHEMBL574077 | 0.78 | — | — | |
| SCHEMBL2001148 | 0.78 | — | — | |
| SCHEMBL4773938 | 0.78 | TBXAS1 (0.75) | — | |
| SCHEMBL4176252 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL25239361 | 0.77 | TBXAS1 (0.54) | — | |
| Hydrochloric Acid SCHEMBL15436959 | 0.77 | TBXAS1 (0.54) | — | |
| Iodide SCHEMBL28622555 | 0.77 | TBXAS1 (0.54) | — | |
| SCHEMBL9035805 | 0.77 | TBXAS1 (0.54) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1505156-B1 | Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester | CONSORTIUM ELEKTROCHEM IND (DE) | 2005-12-07 | — | — | EP | disclosed |
| US-20050032182-A1 | Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH | 2005-02-10 | — | — | US | disclosed |
| EP-1505156-A1 | Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester | Consortium für elektrochemische Industrie GmbH (DE) | 2005-02-09 | — | — | EP | disclosed |
| US-6040449-A | USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT | BANYU PHARMACEUTICAL CO LTD (JP) | 2000-03-21 | — | — | US | disclosed |
| US-5948792-A | POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-09-07 | — | — | US | disclosed |