⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7075808 | 0.62 | — | — | |
| SCHEMBL943110 | 0.62 | GSK3A (0.46) | — | |
| SCHEMBL10373252 | 0.61 | TSHR (0.34) | — | |
| SCHEMBL4653745 | 0.61 | — | — | |
| SCHEMBL8908450 | 0.61 | TSHR (0.34) | — | |
| SCHEMBL7338785 | 0.61 | GSK3A (0.43) | — | |
| Hydrochloric Acid SCHEMBL6550162 | 0.61 | — | — | |
| SCHEMBL1522040 | 0.61 | — | — | |
| SCHEMBL11402652 | 0.61 | — | — | |
| SCHEMBL814548 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1553170-A1 | NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME | KANEKA CORPORATION (JP) | 2005-07-13 | — | — | EP | claimed |
| EP-2084125-A1 | AMINOBENZOCYCLOHEPTENE DERIVATIVES, METHODS FOR PREPARING THE SAME AND USES THEREOF IN THERAPY | Universite De Haute Alsace (FR) | 2009-08-05 | — | — | EP | disclosed |
| WO-2008059141-A1 | AMINOBENZOCYCLOHEPTENE DERIVATIVES, METHODS FOR PREPARING THE SAME AND USES THEREOF IN THERAPY | UNIVERSITE DE HAUTE ALSACE (FR) | 2008-05-22 | — | — | WO | disclosed |
| EP-1553170-A1 | NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME | KANEKA CORPORATION (JP) | 2005-07-13 | — | — | EP | disclosed |