⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6046260 | 0.83 | — | — | |
| SCHEMBL10617644 | 0.83 | — | — | |
| SCHEMBL9704439 | 0.82 | APEX1 (0.30) | — | |
| Hydrogen Sulfide SCHEMBL29138303 | 0.80 | — | — | |
| SCHEMBL9704878 | 0.71 | — | — | |
| SCHEMBL10287503 | 0.70 | APEX1 (0.32) | — | |
| SCHEMBL15653218 | 0.70 | APEX1 (0.32) | — | |
| SCHEMBL7171783 | 0.68 | ALDH1A1 (0.30) | — | |
| SCHEMBL7171779 | 0.68 | ALDH1A1 (0.30) | — | |
| SCHEMBL6046257 | 0.67 | KDM4E (0.31) | — |
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-6161592-A | Heat-resistant hose | TOKAI RUBBER INDUSTRIES, LTD. (JP) | 2000-12-19 | — | — | US | disclosed |
| EP-0947757-A2 | Heat-resistant hose | TOKAI RUBBER INDUSTRIES, LTD. (JP) | 1999-10-06 | — | — | EP | disclosed |