⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4422397 | 0.94 | HDAC6 (0.31) | — | |
| SCHEMBL4418533 | 0.88 | — | — | |
| SCHEMBL4428591 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL4427206 | 0.85 | — | — | |
| SCHEMBL4418223 | 0.84 | — | — | |
| SCHEMBL4421937 | 0.79 | ELANE (0.31) | — | |
| SCHEMBL4418529 | 0.79 | ELANE (0.31) | — | |
| SCHEMBL4418953 | 0.79 | ELANE (0.31) | — | |
| SCHEMBL4428080 | 0.79 | ELANE (0.31) | — | |
| SCHEMBL4422392 | 0.78 | ELANE (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1620475-B1 | NOVEL TRIFUNCTIONAL PHOTOINITIATORS | BASF SE (DE) | 2009-11-11 | — | — | EP | disclosed |
| US-7462650-B2 | Trifunctional photoinitiators | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2008-12-09 | — | — | US | disclosed |
| US-20060270748-A1 | Novel trifunctional photoinitiators | IGM GROUP B.V. (NL) | 2006-11-30 | — | — | US | disclosed |
| EP-1620475-A1 | NOVEL TRIFUNCTIONAL PHOTOINITIATORS | Ciba SC Holding AG (CH) | 2006-02-01 | — | — | EP | disclosed |
| WO-2004099262-A1 | NOVEL TRIFUNCTIONAL PHOTOINITIATORS | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2004-11-18 | — | — | WO | disclosed |