⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL589612 | 0.85 | — | — | |
| SCHEMBL1317980 | 0.78 | — | — | |
| SCHEMBL94111 | 0.78 | — | — | |
| SCHEMBL31324837 | 0.78 | — | — | |
| Bromide SCHEMBL5755666 | 0.76 | NOS2 (0.95) | — | |
| SCHEMBL13823347 | 0.74 | — | — | |
| SCHEMBL2185366 | 0.74 | — | — | |
| SCHEMBL8608711 | 0.74 | — | — | |
| SCHEMBL19327477 | 0.74 | — | — | |
| SCHEMBL21062807 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230295114-A1 | AKT3 MODULATORS | Georgiamune Inc. | 2023-09-21 | — | — | US | disclosed |
| WO-2022234271-A1 | HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS | UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) | 2022-11-10 | — | — | WO | disclosed |
| CN-105884764-B | Novel 8,10- removes diaza-N5Application of the acyl group tetrahydrofolic acid class compound as anti-tumor drug | 北京大学 | 2019-04-05 | — | — | CN | disclosed |
| US-4931487-A | Chain extenders for polyurethanes | DOW CHEMICAL COMPANY | 1990-06-05 | — | — | US | disclosed |