⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7048538 | 0.80 | — | — | |
| SCHEMBL6724092 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL29110948 | 0.57 | — | — | |
| SCHEMBL19062303 | 0.56 | LMNA (0.31) | — | |
| SCHEMBL27936701 | 0.56 | ESR1 (0.30) | — | |
| SCHEMBL14178721 | 0.55 | CYP19A1 (0.34) | — | |
| SCHEMBL19019557 | 0.55 | — | — | |
| SCHEMBL24454859 | 0.55 | — | — | |
| SCHEMBL14542359 | 0.55 | — | — | |
| SCHEMBL27887427 | 0.55 | — | — |
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-3323809-A1 | BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE | Sumitomo Dainippon Pharma Co., Ltd. (JP) | 2018-05-23 | — | — | EP | disclosed |