⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7738840 | 0.87 | CES1 (0.41) | — | |
| Bicarbonate SCHEMBL5506997 | 0.87 | HDAC3 (0.50) | — | |
| SCHEMBL15200419 | 0.87 | — | — | |
| SCHEMBL73010 | 0.86 | — | — | |
| SCHEMBL9802273 | 0.86 | — | — | |
| SCHEMBL15200423 | 0.85 | — | — | |
| SCHEMBL15894674 | 0.85 | — | — | |
| SCHEMBL27966998 | 0.85 | — | — | |
| SCHEMBL14144566 | 0.85 | — | — | |
| SCHEMBL14491757 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1157694-A1 | REMEDIAL AGENT FOR ERECTILE DYSFUNCTION | Nissan Chemical Industries, Ltd. (JP) | 2001-11-28 | — | — | EP | disclosed |
| EP-0207776-B1 | TRACTION DRIVE FLUID | NIPPON OIL CO. LTD. (JP) | 1990-12-19 | — | — | EP | disclosed |
| US-4675459-A | Traction drive fluid | NIPPON OIL COMPANY, LTD. (JP) | 1987-06-23 | — | — | US | disclosed |
| EP-0207776-A2 | Traction drive fluid | NIPPON OIL CO. LTD. (JP) | 1987-01-07 | — | — | EP | disclosed |