⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9517109 | 0.79 | — | — | |
| SCHEMBL5962534 | 0.73 | — | — | |
| SCHEMBL5670418 | 0.73 | — | — | |
| SCHEMBL169880 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL1289407 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL150783 | 0.66 | — | — | |
| SCHEMBL9988092 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL9079161 | 0.64 | — | — | |
| SCHEMBL5336286 | 0.64 | — | — | |
| SCHEMBL1463656 | 0.63 | KDM4E (0.34) | — |
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-6703182-B1 | PHOTOPOLYMERISABLE COMPOSITIONS COMPRISING SAID COMPOUNDS AND USE OF THE COMPOUNDS AS LATENT ACIDS, WHICH CAN BE ACTIVATED BY IRRADIATION WITH LIGHT | CIBA SPECIALTY CHEMICALS CORPORATION | 2004-03-09 | — | — | US | disclosed |
| EP-1105373-B1 | UNSATURATED OXIME DERIVATIVES AND THE USE THEREOF AS LATENT ACIDS | CIBA SC HOLDING AG (CH) | 2002-10-09 | — | — | EP | disclosed |