⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29960294 | 0.77 | — | — | |
| SCHEMBL29960619 | 0.76 | KEAP1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL29959808 | 0.75 | KEAP1 (0.41) | — | |
| SCHEMBL29960475 | 0.73 | TAAR1 (0.39) | — | |
| SCHEMBL29960441 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL29959850 | 0.72 | TAAR1 (0.46) | — | |
| SCHEMBL29960339 | 0.66 | — | — | |
| SCHEMBL29960757 | 0.65 | ACACB (0.39) | — | |
| SCHEMBL29960744 | 0.63 | MAP3K14 (0.37) | — | |
| SCHEMBL31607014 | 0.59 | PSMB5 (0.42) | — |
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 |