⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27422627 | 0.82 | — | — | |
| SCHEMBL811165 | 0.80 | — | — | |
| SCHEMBL387922 | 0.76 | — | — | |
| SCHEMBL8235653 | 0.76 | — | — | |
| SCHEMBL24594894 | 0.74 | — | — | |
| SCHEMBL28059530 | 0.74 | ADH1B (0.37) | — | |
| SCHEMBL23373560 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL27089523 | 0.73 | — | — | |
| SCHEMBL4162488 | 0.71 | — | — | |
| SCHEMBL15714300 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8106194-B2 | Pyrrolopyrimidine and pyrrolotriazine derivatives | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2012-01-31 | — | — | US | disclosed |
| US-20110137031-A1 | PYRROLOPYRIMIDINE AND PYRROLOTRIAZINE DERIVATIVES | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2011-06-09 | — | — | US | disclosed |