⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12458294 | 0.81 | GAA (0.39) | — | |
| SCHEMBL19252812 | 0.77 | SCN10A (0.33) | — | |
| SCHEMBL12777855 | 0.74 | GABBR2 (0.39) | — | |
| SCHEMBL22752309 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL22752379 | 0.74 | — | — | |
| SCHEMBL19251222 | 0.69 | — | — | |
| SCHEMBL24967799 | 0.69 | — | — | |
| SCHEMBL22752627 | 0.67 | S1PR4 (0.32) | — | |
| SCHEMBL7993944 | 0.67 | — | — | |
| SCHEMBL22752671 | 0.66 | MAPT (0.30) | — |
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-10865216-B2 | Tricyclic Gyrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2020-12-15 | — | — | US | disclosed |