⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9559703 | 0.84 | ESR1 (0.31) | — | |
| SCHEMBL5100896 | 0.82 | CHRNB4 (0.38) | — | |
| SCHEMBL5104039 | 0.80 | CHRNB4 (0.38) | — | |
| SCHEMBL28807262 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL14562749 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL27979361 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL2517442 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL7996476 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL28180007 | 0.78 | ALDH1A1 (0.35) | — | |
| Trimethylammonium SCHEMBL8994460 | 0.73 | GSK3B (0.35) | — |
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-5847034-A | Porphyrin-containing silicones having increased thermal stability | WACKER-CHEMIE GMBH (DE) | 1998-12-08 | — | — | US | disclosed |
| EP-0748838-A1 | Porphyrin-containing silicones with improved temperature resistance | Wacker-Chemie GmbH (DE) | 1996-12-18 | — | — | EP | disclosed |