⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10361899 | 0.81 | — | — | |
| SCHEMBL9810085 | 0.78 | — | — | |
| SCHEMBL10744210 | 0.77 | — | — | |
| SCHEMBL2116132 | 0.74 | — | — | |
| SCHEMBL10703268 | 0.72 | — | — | |
| SCHEMBL9787157 | 0.72 | NOTUM (0.35) | — | |
| SCHEMBL175478 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL11962985 | 0.70 | MEN1 (0.33) | — | |
| SCHEMBL83209 | 0.69 | — | — | |
| SCHEMBL9181490 | 0.69 | ALDH1A1 (0.47) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0235729-B1 | REACTIVE DYES | BAYER AG (DE) | 1990-12-19 | — | — | EP | disclosed |
| EP-0203505-B1 | DISAZO METAL COMPLEX DYES | BAYER AG (DE) | 1989-05-24 | — | — | EP | disclosed |
| EP-0186812-B1 | REACTIVE DYES | BAYER AG (DE) | 1989-01-25 | — | — | EP | disclosed |
| EP-0192067-B1 | DISAZO DYES | BAYER AG (DE) | 1988-06-01 | — | — | EP | disclosed |
| EP-0158882-B1 | TRIPHENEDIOXAZINE DYES | BAYER AG (DE) | 1987-12-16 | — | — | EP | disclosed |
| EP-0235729-A2 | Reactive dyes | BAYER AG (DE) | 1987-09-09 | — | — | EP | disclosed |
| EP-0128340-B1 | REACTIVE DISAZO DYES | BAYER AG (DE) | 1987-05-27 | — | — | EP | disclosed |
| EP-0203505-A1 | Disazo metal complex dyes | BAYER AG (DE) | 1986-12-03 | — | — | EP | disclosed |
| US-4621138-A | Triphendioxazine dyestuffs | BAYER AKTIENGESELLSCHAFT (DE) | 1986-11-04 | — | — | US | disclosed |
| EP-0186812-A2 | Reactive dyes | BAYER AG (DE) | 1986-07-09 | — | — | EP | disclosed |
| EP-0158882-A2 | Triphenedioxazine dyes | BAYER AG (DE) | 1985-10-23 | — | — | EP | disclosed |
| EP-0153127-A2 | N-aryl-3-aryl-4,5-dihydro-1H-pyrazole-1-carboxamides, processes for their production, insecticidal compositions containing them and methods for combatting insects | ROHM AND HAAS COMPANY (US) | 1985-08-28 | — | — | EP | disclosed |
| EP-0139248-A2 | Reactive dyes | BAYER AG (DE) | 1985-05-02 | — | — | EP | disclosed |
| EP-0128316-A1 | Reactive disazo dyes | BAYER AG (DE) | 1984-12-19 | — | — | EP | disclosed |
| EP-0128340-A1 | Reactive disazo dyes | BAYER AG (DE) | 1984-12-19 | — | — | EP | disclosed |
| US-4007164-A | FIBER-REACTIVE, CELLULOSE, WOOL | BAYER AKTIENGESELLSCHAFT (DT) | 1977-02-08 | — | — | US | disclosed |