⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9269415 | 0.75 | — | — | |
| SCHEMBL9331171 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL844187 | 0.75 | — | — | |
| SCHEMBL4940279 | 0.75 | — | — | |
| SCHEMBL3903356 | 0.75 | — | — | |
| SCHEMBL1446238 | 0.72 | — | — | |
| SCHEMBL1446233 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL11501686 | 0.72 | — | — | |
| SCHEMBL2286647 | 0.72 | ALDH1A1 (0.39) | — | |
| Isopropyl Alcohol SCHEMBL28657881 | 0.67 | ALDH1A1 (0.46) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2066673-B1 | TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS | CHEMBRIDGE CORP (US) | 2016-12-28 | — | — | EP | claimed |
| US-20080154037-A1 | INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF | XIE WENGE | 2008-06-26 | — | — | US | claimed |
| US-20100010020-A1 | PHOSPHODIESTERASE 4 INHIBITORS | LIU RUIPING | 2010-01-14 | — | — | US | disclosed |