⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9191641 | 0.80 | CHRM5 (0.40) | — | |
| SCHEMBL14546386 | 0.78 | CYP1A2 (0.32) | — | |
| SCHEMBL20976652 | 0.78 | MAOA (0.32) | — | |
| SCHEMBL24121389 | 0.77 | CHRM5 (0.38) | — | |
| SCHEMBL12693396 | 0.76 | CHRM5 (0.38) | — | |
| SCHEMBL8226932 | 0.76 | — | — | |
| SCHEMBL9616911 | 0.76 | — | — | |
| SCHEMBL28598751 | 0.76 | — | — | |
| SCHEMBL18263291 | 0.74 | — | — | |
| SCHEMBL12641503 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020114499-A1 | TYROSINE KINASE INHIBITORS, COMPOSITIONS AND METHODS THERE OF | BETTA PHARMACEUTICALS CO., LTD (CN) | 2020-06-11 | — | — | WO | disclosed |