⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10950925 | 0.71 | NOS3 (0.34) | — | |
| SCHEMBL28294894 | 0.70 | — | — | |
| SCHEMBL5482839 | 0.70 | ADRA1A (0.32) | — | |
| SCHEMBL3438344 | 0.70 | — | — | |
| SCHEMBL14720995 | 0.68 | — | — | |
| SCHEMBL7403559 | 0.68 | — | — | |
| SCHEMBL14720915 | 0.65 | ALOX5 (0.31) | — | |
| SCHEMBL12348668 | 0.64 | IDO1 (0.45) | — | |
| SCHEMBL2951376 | 0.64 | PDE4A (0.42) | — | |
| Methyl Alcohol SCHEMBL104213 | 0.63 | — | — |
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-20200131201-A1 | TYK2 INHIBITORS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-04-30 | — | — | US | disclosed |