⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29013140 | 0.81 | — | — | |
| SCHEMBL22399990 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL24522011 | 0.69 | — | — | |
| SCHEMBL19733695 | 0.67 | — | — | |
| 2,2,3-Trimethylbutane SCHEMBL28055462 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL1133021 | 0.63 | — | — | |
| SCHEMBL506182 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL7399122 | 0.61 | — | — | |
| SCHEMBL20610046 | 0.60 | — | — | |
| SCHEMBL178547 | 0.60 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210015816-A1 | POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE | GILEAD SCIENCES, INC. | 2021-01-21 | — | — | US | disclosed |
| US-10640510-B2 | Metabotrophic glutamate receptor 5 modulators and methods use thereof | SUNOVION PHARMACEUTICALS INC. (US) | 2020-05-05 | — | — | US | disclosed |
| US-20190135815-A1 | METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF | SUNOVION PHARMACEUTICALS INC (US) | 2019-05-09 | — | — | US | disclosed |