⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20194187 | 0.92 | CCR3 (0.34) | — | |
| SCHEMBL20194212 | 0.90 | — | — | |
| SCHEMBL20194172 | 0.90 | AAK1 (0.30) | — | |
| SCHEMBL20194162 | 0.83 | F10 (0.34) | — | |
| SCHEMBL20194226 | 0.83 | AAK1 (0.33) | — | |
| SCHEMBL20194213 | 0.81 | AAK1 (0.31) | — | |
| SCHEMBL20194179 | 0.80 | F10 (0.44) | — | |
| SCHEMBL20194228 | 0.79 | F10 (0.34) | — | |
| SCHEMBL20194170 | 0.77 | F10 (0.37) | — | |
| SCHEMBL20194185 | 0.77 | F10 (0.46) | — |
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 |