⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28156197 | 0.97 | KDM4E (0.36) | — | |
| SCHEMBL28344461 | 0.97 | KDM4E (0.36) | — | |
| SCHEMBL3948403 | 0.92 | KDM4E (0.34) | — | |
| SCHEMBL29053914 | 0.90 | KDM4E (0.33) | — | |
| SCHEMBL2650614 | 0.90 | KDM4E (0.33) | — | |
| SCHEMBL2765694 | 0.90 | KDM4E (0.33) | — | |
| Water SCHEMBL2650094 | 0.88 | KDM4E (0.32) | — | |
| SCHEMBL3948402 | 0.74 | — | — | |
| SCHEMBL17755490 | 0.74 | — | — | |
| Potassium Ion SCHEMBL2765690 | 0.72 | CA1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117561054-A | Compounds and methods for treating alcohol use disorders | 索菲洛许奈制药有限公司 | 2024-02-13 | — | — | CN | disclosed |
| US-5637731-A | CHOLINERGIC AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1997-06-10 | — | — | US | disclosed |
| US-5550257-A | TREATING CENTRAL CHOLINERGIC DYSFUNCTION | AMERICAN CYANAMID COMPANY (US) | 1996-08-27 | — | — | US | disclosed |