⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8664974 | 0.87 | TSHR (0.33) | — | |
| SCHEMBL8663604 | 0.85 | TSHR (0.32) | — | |
| SCHEMBL8661836 | 0.84 | TSHR (0.35) | — | |
| SCHEMBL3285517 | 0.81 | — | — | |
| SCHEMBL8662490 | 0.80 | — | — | |
| SCHEMBL8665071 | 0.78 | — | — | |
| SCHEMBL8665331 | 0.75 | — | — | |
| SCHEMBL18762854 | 0.72 | — | — | |
| SCHEMBL17475518 | 0.71 | — | — | |
| Trimethylammonium SCHEMBL6444160 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0458479-B1 | Pigment dispersing agent | NIPPON OILS & FATS CO LTD (JP) | 1998-11-25 | — | — | EP | disclosed |
| US-5244979-A | Paints | NIPPON OIL AND FATS COMPANY, LIMITED (JP) | 1993-09-14 | — | — | US | disclosed |
| EP-0458479-A2 | Pigment dispersing agent | NIPPON OIL AND FATS COMPANY, LIMITED (JP) | 1991-11-27 | — | — | EP | disclosed |