⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29960243 | 0.77 | — | — | |
| SCHEMBL29960765 | 0.76 | TAAR1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL29960613 | 0.75 | TAAR1 (0.41) | — | |
| SCHEMBL29960441 | 0.72 | — | — | |
| SCHEMBL29960339 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL29960779 | 0.72 | TAAR1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL29959968 | 0.72 | TAAR1 (0.44) | — | |
| SCHEMBL29960744 | 0.69 | MAP3K14 (0.37) | — | |
| SCHEMBL29960433 | 0.68 | TAAR1 (0.41) | — | |
| SCHEMBL10025872 | 0.67 | — | — |
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-2022204150-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS | BLUE OAK PHARMACEUTICALS, INC. (US) | 2022-09-29 | — | — | WO | disclosed |