⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16469110 | 0.82 | — | — | |
| SCHEMBL16468847 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL16469017 | 0.81 | — | — | |
| SCHEMBL14920745 | 0.81 | — | — | |
| SCHEMBL16468819 | 0.80 | — | — | |
| SCHEMBL14920625 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL16468915 | 0.79 | — | — | |
| SCHEMBL16488875 | 0.77 | — | — | |
| SCHEMBL14920353 | 0.77 | — | — | |
| SCHEMBL14920898 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9145354-B2 | Pharmaceutical compounds | ASTEX THERAPEUTICS LIMITED (GB) | 2015-09-29 | — | — | US | disclosed |
| US-9145354-B2 | Pharmaceutical compounds | ASTEX THERAPEUTICS LIMITED (GB) | 2015-09-29 | — | — | US | disclosed |
| US-9145354-B2 | Pharmaceutical compounds | ASTEX THERAPEUTICS LIMITED (GB) | 2015-09-29 | — | — | US | disclosed |
| US-20150051199-A1 | PHARMACEUTICAL COMPOUNDS | ASTEX THERAPEUTICS LIMITED (GB) | 2015-02-19 | — | — | US | disclosed |
| US-20150051199-A1 | PHARMACEUTICAL COMPOUNDS | ASTEX THERAPEUTICS LIMITED (GB) | 2015-02-19 | — | — | US | disclosed |
| US-20150051199-A1 | PHARMACEUTICAL COMPOUNDS | ASTEX THERAPEUTICS LIMITED (GB) | 2015-02-19 | — | — | US | disclosed |
| EP-2773615-A1 | PHARMACEUTICAL COMPOUNDS | Astex Therapeutics Limited (GB) | 2014-09-10 | — | — | EP | disclosed |
| WO-2013064543-A1 | PHARMACEUTICAL COMPOUNDS | ASTEX THERAPEUTICS LIMITED (GB) | 2013-05-10 | — | — | WO | disclosed |