⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23829915 | 1.00 | — | — | |
| SCHEMBL9577006 | 0.91 | TBXAS1 (0.45) | — | |
| SCHEMBL9577009 | 0.91 | TBXAS1 (0.45) | — | |
| SCHEMBL14151094 | 0.91 | TBXAS1 (0.45) | — | |
| SCHEMBL14151095 | 0.91 | TBXAS1 (0.45) | — | |
| SCHEMBL7569107 | 0.84 | — | — | |
| SCHEMBL7569105 | 0.84 | — | — | |
| SCHEMBL8590318 | 0.84 | TSHR (0.52) | — | |
| SCHEMBL1942740 | 0.84 | TSHR (0.52) | — | |
| SCHEMBL8590317 | 0.84 | TSHR (0.52) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| EP-1490501-B1 | ENZYMATIC RESOLUTION OF PROPYLENE GLYCOL ALKYL (OR ARYL) ETHERS AND ETHER ACETATES | REDDY S LAB EU LTD DR (GB) | 2010-05-26 | — | — | EP | disclosed |
| WO-2008132128-A2 | SYNTHESIS OF A PHARMACEUTICALLY ACTIVE COMPOUND | Solvay (Société Anonyme) (BE) | 2008-11-06 | — | — | WO | disclosed |
| EP-1985603-A1 | Process for preparing difluorocyclohexanoic acid derivatives | SOLVAY (Société Anonyme) (BE) | 2008-10-29 | — | — | EP | disclosed |