⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL83499 | 0.78 | — | — | |
| SCHEMBL83934 | 0.73 | — | — | |
| SCHEMBL22863895 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL3706204 | 0.69 | — | — | |
| SCHEMBL6719860 | 0.67 | PDE4A (0.31) | — | |
| SCHEMBL2424060 | 0.67 | CA2 (0.31) | — | |
| SCHEMBL31542578 | 0.67 | — | — | |
| SCHEMBL2120002 | 0.67 | — | — | |
| SCHEMBL1440581 | 0.67 | — | — | |
| SCHEMBL83611 | 0.65 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-7082500-A | — | — | None | — | — | JP | disclosed |
| US-5498700-A | Naphthylazonaphthol dyes which contain a 5-chloro-6-fluoropyrimidin-4-yl reactive group | BAYER AKTIENGESELLSCHAFT (DE) | 1996-03-12 | — | — | US | disclosed |
| JP-H0782500-A | REACTIVE DYE | BAYER AG | 1995-03-28 | — | — | JP | disclosed |
| EP-0641840-A1 | Reactive dyes | BAYER AG (DE) | 1995-03-08 | — | — | EP | disclosed |
| EP-0377189-B1 | Reactive dyes | BAYER AG (DE) | 1994-09-07 | — | — | EP | disclosed |
| US-5241056-A | REACTIVE MONOAZO DYESTUFFS WHICH CONTAIN ALKYLBENZENE AND CHLOROFLUORO PYRIMIDINE SUBSTITUENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1993-08-31 | — | — | US | disclosed |
| EP-0513617-A1 | Reactive dyes | BAYER AG (DE) | 1992-11-19 | — | — | EP | disclosed |
| US-5093482-A | REACTIVE DYESTUFFS | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-03 | — | — | US | disclosed |