⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21709252 | 0.90 | — | — | |
| SCHEMBL21709143 | 0.89 | — | — | |
| SCHEMBL21709249 | 0.85 | MAOA (0.31) | — | |
| SCHEMBL21709245 | 0.83 | P2RX3 (0.31) | — | |
| SCHEMBL21709276 | 0.81 | P2RX3 (0.33) | — | |
| SCHEMBL21709250 | 0.79 | MAOA (0.32) | — | |
| SCHEMBL21709217 | 0.79 | — | — | |
| SCHEMBL21709058 | 0.78 | CYP3A4 (0.31) | — | |
| SCHEMBL21709244 | 0.76 | MAOA (0.32) | — | |
| SCHEMBL21708884 | 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-2020032080-A1 | COMPOUND, SALT OF COMPOUND, NEUROMODULATION AGENT, METHOD FOR EVALUATING NEUROMODULATION AGENT, METHOD FOR PRODUCING COMPOUND, AND METHOD FOR PRODUCING SALT OF COMPOUND | 学校法人慶應義塾 | 2020-02-13 | — | — | WO | disclosed |