⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23384274 | 0.86 | — | — | |
| SCHEMBL24176634 | 0.86 | CYP2D6 (0.32) | — | |
| SCHEMBL112567 | 0.83 | TSHR (0.36) | — | |
| SCHEMBL18743804 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL25969094 | 0.82 | FFAR1 (0.33) | — | |
| Fluoride SCHEMBL22032650 | 0.79 | TSHR (0.33) | — | |
| Hydrochloric Acid SCHEMBL4662388 | 0.79 | TSHR (0.33) | — | |
| Hydrochloric Acid SCHEMBL4316309 | 0.79 | TSHR (0.33) | — | |
| SCHEMBL22824553 | 0.79 | — | — | |
| SCHEMBL26551646 | 0.77 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11084800-B2 | Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2021-08-10 | — | — | US | disclosed |
| US-20200071301-A1 | Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2020-03-05 | — | — | US | disclosed |