⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL38660109 | 0.90 | KDM4E (0.31) | — | |
| SCHEMBL25212306 | 0.80 | SYK (0.38) | — | |
| SCHEMBL25683555 | 0.78 | — | — | |
| SCHEMBL31480997 | 0.77 | — | — | |
| SCHEMBL25683330 | 0.77 | CA14 (0.33) | — | |
| SCHEMBL25683605 | 0.76 | — | — | |
| SCHEMBL38658891 | 0.73 | — | — | |
| SCHEMBL25683362 | 0.70 | CA14 (0.35) | — | |
| SCHEMBL25787799 | 0.70 | ZDHHC20 (0.33) | — | |
| SCHEMBL25211816 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11787825-B2 | Therapeutic compounds for HIV virus infection | GILEAD SCIENCES, INC. (US) | 2023-10-17 | — | — | US | disclosed |
| US-20230203069-A1 | THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION | GILEAD SCIENCES, INC. | 2023-06-29 | — | — | US | disclosed |