⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL97211 | 0.85 | — | — | |
| SCHEMBL517915 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL137092 | 0.80 | CYP19A1 (0.33) | — | |
| SCHEMBL18193410 | 0.80 | CYP19A1 (0.33) | — | |
| SCHEMBL10601516 | 0.80 | CYP19A1 (0.33) | — | |
| SCHEMBL16393774 | 0.80 | CYP19A1 (0.33) | — | |
| SCHEMBL13515822 | 0.71 | ADH1A (0.33) | — | |
| SCHEMBL98088 | 0.71 | — | — | |
| SCHEMBL11624219 | 0.70 | — | — | |
| SCHEMBL15186982 | 0.69 | ADH1A (0.36) | — |
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-2296040-A1 | Positive photosensitive composition | Fujifilm Corporation (JP) | 2011-03-16 | — | — | EP | disclosed |