⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21028208 | 0.85 | PIK3CD (0.31) | — | |
| SCHEMBL23555211 | 0.81 | TP53 (0.32) | — | |
| SCHEMBL2230808 | 0.81 | USP2 (0.35) | — | |
| SCHEMBL23776014 | 0.76 | USP2 (0.32) | — | |
| SCHEMBL4546608 | 0.74 | — | — | |
| SCHEMBL9801300 | 0.74 | GRM5 (0.30) | — | |
| SCHEMBL3176003 | 0.73 | KEAP1 (0.36) | — | |
| SCHEMBL5369459 | 0.72 | — | — | |
| SCHEMBL16943591 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL4550236 | 0.71 | KDM4E (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4992150-A | Telomer with alpha-olefin;oil and fuel additive | NIPPON OIL CO, LTD. (JP) | 1991-02-12 | — | — | US | disclosed |