⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22776579 | 0.88 | EGFR (0.30) | — | |
| SCHEMBL22791483 | 0.84 | FPR1 (0.32) | — | |
| SCHEMBL22776529 | 0.82 | P2RX3 (0.35) | — | |
| SCHEMBL22791471 | 0.81 | HTR3A (0.37) | — | |
| SCHEMBL22791358 | 0.80 | TRPV1 (0.33) | — | |
| SCHEMBL22776581 | 0.80 | RXRA (0.33) | — | |
| SCHEMBL22776537 | 0.79 | FABP4 (0.38) | — | |
| SCHEMBL22791469 | 0.78 | GSK3B (0.38) | — | |
| SCHEMBL22791527 | 0.78 | GSK3B (0.38) | — | |
| SCHEMBL22791294 | 0.77 | PTGER4 (0.34) | — |
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-2020251957-A1 | PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF | TEON THERAPEUTICS, INC. (US) | 2020-12-17 | — | — | WO | disclosed |