⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15921499 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL15921466 | 0.98 | NOS1 (0.32) | — | |
| SCHEMBL3753106 | 0.93 | EPHX1 (0.39) | — | |
| SCHEMBL9214150 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL22321865 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL22321868 | 0.88 | — | — | |
| SCHEMBL10245389 | 0.80 | DPP4 (0.41) | — | |
| SCHEMBL4552261 | 0.74 | PLG (0.41) | — | |
| SCHEMBL9999283 | 0.73 | — | — | |
| SCHEMBL9999264 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2951180-B1 | 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS | MERCK SHARP & DOHME (US) | 2018-05-02 | — | — | EP | disclosed |