⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20194156 | 0.81 | — | — | |
| SCHEMBL20194130 | 0.79 | F2 (0.45) | — | |
| SCHEMBL20194174 | 0.69 | F2 (0.32) | — | |
| SCHEMBL20194176 | 0.68 | ALOX5 (0.36) | — | |
| SCHEMBL20194149 | 0.65 | CA12 (0.34) | — | |
| SCHEMBL20194148 | 0.65 | PRSS1 (0.50) | — | |
| SCHEMBL20194146 | 0.59 | FURIN (0.32) | — | |
| SCHEMBL30554557 | 0.59 | CA12 (0.73) | — | |
| SCHEMBL30554535 | 0.59 | CA12 (0.73) | — | |
| SCHEMBL1028307 | 0.59 | CA12 (0.73) | — |
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-3054955-B1 | PYRROLOTRIAZINE KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-30 | — | — | EP | disclosed |