⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9802001 | 0.97 | TSHR (0.33) | — | |
| SCHEMBL9801572 | 0.94 | — | — | |
| SCHEMBL30722274 | 0.74 | TSHR (0.41) | — | |
| SCHEMBL9686906 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL10338067 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL10442825 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL10346157 | 0.71 | FFAR3 (0.33) | — | |
| SCHEMBL502573 | 0.69 | — | — | |
| SCHEMBL2973103 | 0.69 | — | — | |
| SCHEMBL21009616 | 0.69 | — | — |
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-4992150-A | Telomer with alpha-olefin;oil and fuel additive | NIPPON OIL CO, LTD. (JP) | 1991-02-12 | — | — | US | disclosed |
| US-4210489-A | Method of imparting wet strength to paper products | W. R. GRACE & CO. (US) | 1980-07-01 | — | — | US | disclosed |