⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL29158023 | 0.69 | — | — | |
| SCHEMBL22995951 | 0.69 | — | — | |
| SCHEMBL23486409 | 0.67 | — | — | |
| SCHEMBL24289456 | 0.67 | — | — | |
| Water SCHEMBL736229 | 0.67 | — | — | |
| SCHEMBL18461890 | 0.65 | — | — | |
| Acetonitrile SCHEMBL29224147 | 0.65 | — | — | |
| SCHEMBL24754156 | 0.64 | ESR2 (0.32) | — | |
| SCHEMBL24890582 | 0.64 | — | — | |
| Cyclohexylamine SCHEMBL28857860 | 0.63 | THRB (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024073371-A1 | AKT1 MODULATORS | ALTEROME THERAPEUTICS, INC. (US) | 2024-04-04 | — | — | WO | disclosed |
| EP-3334710-B1 | COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING NEURODEGENERATIVE DISORDERS | ALZHEON INC (US) | 2023-10-04 | — | — | EP | disclosed |