⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29960767 | 0.82 | — | — | |
| SCHEMBL29961280 | 0.80 | TAAR1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL29960666 | 0.78 | ADRA2A (0.33) | — | |
| SCHEMBL7145240 | 0.78 | ITGB2 (0.39) | — | |
| SCHEMBL29960786 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL29960611 | 0.71 | ADRA2A (0.31) | — | |
| Hydrochloric Acid SCHEMBL29960775 | 0.68 | TAAR1 (0.43) | — | |
| SCHEMBL29961247 | 0.67 | ITGB2 (0.41) | — | |
| SCHEMBL3585379 | 0.67 | ITGB2 (0.41) | — | |
| SCHEMBL3396627 | 0.66 | ITGB2 (0.35) | — |
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 |