⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25092178 | 0.73 | — | — | |
| SCHEMBL12040692 | 0.70 | P2RX7 (0.39) | — | |
| SCHEMBL12448119 | 0.70 | KDM4E (0.31) | — | |
| SCHEMBL14529014 | 0.69 | KCNH2 (0.32) | — | |
| SCHEMBL18874469 | 0.67 | — | — | |
| SCHEMBL25039233 | 0.67 | KCNH2 (0.31) | — | |
| SCHEMBL23562812 | 0.65 | — | — | |
| SCHEMBL22796860 | 0.65 | CHRNA7 (0.39) | — | |
| SCHEMBL25081776 | 0.64 | — | — | |
| SCHEMBL25081718 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11186564-B2 | Dual NAV1.2/5HT2a inhibitors for treating CNS disorders | SUNOVION PHARMACEUTICALS INC. (US) | 2021-11-30 | — | — | US | disclosed |
| US-20190194163-A1 | DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS | SUNOVION PHARMACEUTICALS INC. (US) | 2019-06-27 | — | — | US | disclosed |