⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2861806 | 0.84 | TP53 (0.33) | — | |
| SCHEMBL29618943 | 0.77 | TP53 (0.30) | — | |
| SCHEMBL189595 | 0.77 | TP53 (0.30) | — | |
| SCHEMBL4359969 | 0.73 | — | — | |
| SCHEMBL3819396 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL11018648 | 0.71 | — | — | |
| SCHEMBL29279392 | 0.70 | SLC22A8 (0.30) | — | |
| SCHEMBL10850669 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL11661670 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL31391761 | 0.69 | ALDH1A1 (0.38) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1529651-B1 | Recording medium including a recording layer | FUJIFILM CORP (JP) | 2007-09-05 | — | — | EP | disclosed |