⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26170333 | 1.00 | — | — | |
| SCHEMBL14038216 | 1.00 | — | — | |
| SCHEMBL26170436 | 1.00 | — | — | |
| SCHEMBL25585003 | 0.85 | CA1 (0.31) | — | |
| SCHEMBL21216997 | 0.84 | — | — | |
| SCHEMBL23475114 | 0.82 | HRH3 (0.31) | — | |
| SCHEMBL26889870 | 0.82 | HRH3 (0.31) | — | |
| SCHEMBL26889899 | 0.82 | HRH3 (0.31) | — | |
| SCHEMBL23435921 | 0.82 | DPP4 (0.40) | — | |
| SCHEMBL20170518 | 0.82 | DPP4 (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 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 |