⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27352424 | 0.67 | PTGS2 (0.39) | — | |
| SCHEMBL5677484 | 0.67 | — | — | |
| SCHEMBL5909707 | 0.65 | NPC1 (0.32) | — | |
| SCHEMBL2179257 | 0.64 | PTGS2 (0.30) | — | |
| SCHEMBL5674115 | 0.63 | — | — | |
| SCHEMBL8839046 | 0.63 | — | — | |
| SCHEMBL9162802 | 0.63 | — | — | |
| SCHEMBL5692614 | 0.61 | — | — | |
| SCHEMBL9009799 | 0.61 | MAPT (0.36) | — | |
| SCHEMBL4918561 | 0.61 | — | — |
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-0641841-B1 | Reactive azo dye-stuffs | BAYER AG (DE) | 1999-11-10 | — | — | EP | disclosed |
| US-5569747-A | DYEING COTTON; RED SHADE | BAYER AKTIENGESELLSCHAFT (DE) | 1996-10-29 | — | — | US | disclosed |
| EP-0641841-A1 | Reactive azo dye-stuffs | BAYER AG (DE) | 1995-03-08 | — | — | EP | disclosed |
| US-4052386-A | REACTIVE PHTHALOCYANINE DYESTUFFS CONTAINING A FLUOROPYRIMIDINYL GROUP | BAYER AKTIENGESELLSCHAFT (DT) | 1977-10-04 | — | — | US | disclosed |