⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19505562 | 0.92 | P2RX3 (0.30) | — | |
| SCHEMBL20432383 | 0.89 | — | — | |
| SCHEMBL21499643 | 0.84 | P2RX3 (0.45) | — | |
| SCHEMBL19505563 | 0.80 | MAOA (0.36) | — | |
| SCHEMBL19505559 | 0.78 | PDE5A (0.31) | — | |
| SCHEMBL20432462 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL21316334 | 0.72 | P2RX3 (0.39) | — | |
| SCHEMBL19374881 | 0.72 | P2RX3 (0.44) | — | |
| SCHEMBL21499648 | 0.72 | TRPC4 (0.40) | — | |
| SCHEMBL21499654 | 0.71 | P2RX3 (0.40) | — |
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-2970303-B1 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | HYDRA BIOSCIENCES INC (US) | 2017-05-10 | — | — | EP | disclosed |