⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17666901 | 1.00 | — | — | |
| SCHEMBL17666971 | 0.88 | MAOA (0.45) | — | |
| SCHEMBL17666970 | 0.88 | MAOA (0.45) | — | |
| SCHEMBL7910372 | 0.82 | — | — | |
| SCHEMBL7910374 | 0.82 | — | — | |
| SCHEMBL18725168 | 0.78 | — | — | |
| SCHEMBL14535424 | 0.78 | — | — | |
| SCHEMBL4099690 | 0.78 | POLB (0.45) | — | |
| SCHEMBL4099687 | 0.78 | POLB (0.45) | — | |
| Hydrochloric Acid SCHEMBL9710687 | 0.77 | ALDH1A1 (0.48) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3006496-B1 | TIRE RUBBER COMPOSITION AND MANUFACTURING METHOD THEREFOR | BRIDGESTONE CORP (JP) | 2017-07-19 | — | — | EP | claimed |
| CN-107189487-B | Mono-azo thiazole triazole disperse dye and preparation method thereof | 南京工业大学 | 2019-01-15 | — | — | CN | disclosed |
| CN-107189487-A | Mono-azo thiazole triazole disperse dye and preparation method thereof | 南京工业大学 | 2017-09-22 | — | — | CN | disclosed |
| EP-3006496-B1 | TIRE RUBBER COMPOSITION AND MANUFACTURING METHOD THEREFOR | BRIDGESTONE CORP (JP) | 2017-07-19 | — | — | EP | disclosed |
| US-20160115296-A1 | TIRE RUBBER COMPOSITION AND MANUFACTURING METHOD THEREFOR | BRIDGESTONE CORPORATION (JP) | 2016-04-28 | — | — | US | disclosed |
| EP-3006496-A1 | TIRE RUBBER COMPOSITION AND MANUFACTURING METHOD THEREFOR | Bridgestone Corporation (JP) | 2016-04-13 | — | — | EP | disclosed |