⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25447145 | 1.00 | — | — | |
| SCHEMBL19453282 | 1.00 | — | — | |
| SCHEMBL18611336 | 1.00 | — | — | |
| SCHEMBL18611298 | 1.00 | — | — | |
| SCHEMBL18808482 | 0.92 | CA1 (0.38) | — | |
| SCHEMBL21788205 | 0.88 | — | — | |
| SCHEMBL20886771 | 0.88 | — | — | |
| SCHEMBL10289799 | 0.88 | — | — | |
| SCHEMBL20886772 | 0.88 | — | — | |
| SCHEMBL20886817 | 0.88 | — | — |
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-10822352-B2 | Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2020-11-03 | — | — | US | disclosed |