⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL18423336 | 0.98 | — | — | |
| SCHEMBL7136183 | 0.75 | — | — | |
| SCHEMBL2702676 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL164686 | 0.62 | — | — | |
| SCHEMBL1894962 | 0.61 | — | — | |
| SCHEMBL20746147 | 0.58 | — | — | |
| SCHEMBL3035541 | 0.56 | — | — | |
| SCHEMBL7215917 | 0.56 | — | — | |
| SCHEMBL6577804 | 0.55 | — | — | |
| SCHEMBL2704595 | 0.55 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3083616-A1 | BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY | Astex Therapeutics Limited (GB) | 2016-10-26 | — | — | EP | disclosed |
| WO-2015092420-A1 | BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY | ASTEX THERAPEUTICS LIMITED (GB) | 2015-06-25 | — | — | WO | disclosed |