⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14059354 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL6079243 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL22085274 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL27727578 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL6077962 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL6078384 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL5617415 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL20021318 | 0.74 | NPC1 (0.40) | — | |
| SCHEMBL6274642 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL20031168 | 0.72 | NPC1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1606333-A1 | COATING COMPOSITION CONTAINING POLYTRIMETHYLENE ETHER DIOL USEFUL AS A CLEAR COAT COMPOSITION AND AS A PRIMER COMPOSITION | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2005-12-21 | — | — | EP | disclosed |
| WO-2004085507-A1 | COATING COMPOSITION CONTAINING POLYTRIMETHYLENE ETHER DIOL USEFUL AS A CLEAR COAT COMPOSITION AND AS A PRIMER COMPOSITION | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2004-10-07 | — | — | WO | disclosed |