⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8388694 | 0.80 | — | — | |
| SCHEMBL21386109 | 0.77 | — | — | |
| SCHEMBL841353 | 0.76 | HRH1 (0.33) | — | |
| SCHEMBL17788634 | 0.74 | — | — | |
| SCHEMBL12146358 | 0.69 | KMT2A (0.51) | — | |
| SCHEMBL18901147 | 0.69 | — | — | |
| SCHEMBL12845869 | 0.69 | — | — | |
| SCHEMBL2040652 | 0.69 | — | — | |
| SCHEMBL13444500 | 0.69 | — | — | |
| SCHEMBL10714756 | 0.67 | LMNA (0.32) | — |
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-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |