⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12711521 | 0.89 | — | — | |
| SCHEMBL19038360 | 0.85 | — | — | |
| SCHEMBL12711372 | 0.85 | DRD2 (0.30) | — | |
| SCHEMBL12711290 | 0.83 | DRD2 (0.30) | — | |
| SCHEMBL19038349 | 0.81 | — | — | |
| SCHEMBL18878554 | 0.79 | — | — | |
| SCHEMBL15763752 | 0.78 | — | — | |
| SCHEMBL12711409 | 0.78 | HSD17B1 (0.32) | — | |
| SCHEMBL18405884 | 0.76 | — | — | |
| SCHEMBL12619501 | 0.75 | NPC1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170186958-A1 | POLYMER COMPOUND AND ORGANIC SEMICONDUCTOR DEVICE USING THE SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-06-29 | — | — | US | disclosed |