⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL279495 | 0.75 | — | — | |
| SCHEMBL279496 | 0.70 | — | — | |
| SCHEMBL169535 | 0.66 | — | — | |
| SCHEMBL16411544 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL276226 | 0.64 | — | — | |
| SCHEMBL9033966 | 0.61 | ALDH1A1 (0.36) | — | |
| SCHEMBL15561129 | 0.59 | KDM4E (0.40) | — | |
| SCHEMBL9042091 | 0.58 | AR (0.37) | — | |
| SCHEMBL21434276 | 0.55 | AR (0.31) | — | |
| SCHEMBL20448741 | 0.53 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2465505-A1 | Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis | Bayer HealthCare LLC (US) | 2012-06-20 | — | — | EP | disclosed |