⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21705357 | 1.00 | — | — | |
| SCHEMBL4892023 | 0.85 | — | — | |
| SCHEMBL24618358 | 0.81 | — | — | |
| SCHEMBL29080049 | 0.78 | — | — | |
| SCHEMBL29080050 | 0.78 | — | — | |
| SCHEMBL25357354 | 0.74 | — | — | |
| SCHEMBL5590827 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL30454822 | 0.73 | GABRR1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL17288728 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL19433784 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020031107-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2020-02-13 | — | — | WO | disclosed |