⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12188710 | 0.92 | EGFR (0.31) | — | |
| SCHEMBL9963863 | 0.88 | EGFR (0.33) | — | |
| SCHEMBL12019769 | 0.80 | — | — | |
| SCHEMBL13827386 | 0.76 | — | — | |
| SCHEMBL15686201 | 0.76 | — | — | |
| SCHEMBL11891080 | 0.73 | MEN1 (0.33) | — | |
| SCHEMBL15276700 | 0.69 | — | — | |
| SCHEMBL9961322 | 0.67 | — | — | |
| SCHEMBL11892863 | 0.66 | EGFR (0.30) | — | |
| SCHEMBL18874431 | 0.61 | ALDH1A1 (0.33) | — |
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-2810313-B1 | METHOD FOR PRODUCING AN ORGANIC SEMICONDUCTOR DEVICE | BASF SE (DE) | 2017-06-14 | — | — | EP | disclosed |