⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17923692 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL5045911 | 0.70 | — | — | |
| SCHEMBL6682147 | 0.68 | CYP3A4 (0.31) | — | |
| SCHEMBL9205277 | 0.67 | — | — | |
| SCHEMBL7724071 | 0.66 | FGFR1 (0.32) | — | |
| SCHEMBL5685518 | 0.65 | FGFR1 (0.33) | — | |
| SCHEMBL5850276 | 0.65 | — | — | |
| SCHEMBL11176419 | 0.62 | — | — | |
| SCHEMBL6682019 | 0.61 | CASP3 (0.30) | — | |
| SCHEMBL6660351 | 0.61 | GPR3 (0.31) | — |
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-1448575-A1 | LIGANDS FOR USE IN CATALYTIC PROCESSES | Eidgenössische Technische Hochschule (ETH) Zürich (CH) | 2004-08-25 | — | — | EP | disclosed |
| WO-2003048175-A1 | LIGANDS FOR USE IN CATALYTIC PROCESSES | EIDGENÖSSISCHE TECHNISCHE HOCHSCHULE ZÜRICH ETHZ (CH) | 2003-06-12 | — | — | WO | disclosed |