⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9774566 | 1.00 | — | — | |
| SCHEMBL2106584 | 1.00 | — | — | |
| SCHEMBL7495032 | 0.97 | — | — | |
| SCHEMBL2105669 | 0.81 | MEN1 (0.39) | — | |
| SCHEMBL2105336 | 0.81 | MEN1 (0.39) | — | |
| SCHEMBL4677458 | 0.80 | MEN1 (0.36) | — | |
| SCHEMBL2967185 | 0.79 | — | — | |
| SCHEMBL9615770 | 0.78 | TSHR (0.55) | — | |
| SCHEMBL23795825 | 0.77 | — | — | |
| SCHEMBL11160922 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3247299-A | — | — | None | — | — | JP | disclosed |
| US-7704705-B2 | Esterases and their use for processes for kinetic resolution of butinolesters | BASF SE (DE) | 2010-04-27 | — | — | US | disclosed |
| US-20090155865-A1 | Esterases and their Use for Processes for Kinetic Resolution of Butinolesters | BASF AKTIENGESELLSCHAFT (DE) | 2009-06-18 | — | — | US | disclosed |
| EP-1937809-A1 | NEW ESTERASES AND THEIR USE FOR PROCESSES FOR KINETIC RESOLUTION OF BUTINOLESTERS | BASF SE (DE) | 2008-07-02 | — | — | EP | disclosed |
| WO-2007042444-A1 | NEW ESTERASES AND THEIR USE FOR PROCESSES FOR KINETIC RESOLUTION OF BUTINOLESTERS | BASF SE (DE) | 2007-04-19 | — | — | WO | disclosed |
| JP-H03247299-A | OPTICALLY ACTIVE SECONDARY ALKYNE ALCOHOL BY BIOCHEMICAL TECHNIQUE | LION CORP | 1991-11-05 | — | — | JP | disclosed |