⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14707326 | 0.90 | — | — | |
| SCHEMBL14707331 | 0.85 | PTP4A3 (0.32) | — | |
| SCHEMBL14707318 | 0.85 | HSD17B1 (0.35) | — | |
| SCHEMBL14707330 | 0.80 | HSD17B1 (0.33) | — | |
| SCHEMBL12924250 | 0.78 | HSD17B1 (0.35) | — | |
| SCHEMBL12924316 | 0.78 | HSD17B1 (0.35) | — | |
| SCHEMBL14707317 | 0.75 | HDAC6 (0.34) | — | |
| SCHEMBL14707328 | 0.72 | — | — | |
| SCHEMBL12924307 | 0.70 | ESR1 (0.42) | — | |
| SCHEMBL12924298 | 0.70 | ESR1 (0.42) | — |
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-2259355-B1 | ORGANIC TRANSISTOR | YAMAMOTO CHEMICALS INC (JP) | 2013-02-20 | — | — | EP | disclosed |