⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2608725 | 0.72 | — | — | |
| SCHEMBL14230534 | 0.70 | — | — | |
| SCHEMBL19523854 | 0.70 | — | — | |
| SCHEMBL307559 | 0.70 | — | — | |
| SCHEMBL8322149 | 0.70 | — | — | |
| SCHEMBL16271657 | 0.70 | — | — | |
| SCHEMBL14587593 | 0.70 | — | — | |
| Methane SCHEMBL10697663 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL1897877 | 0.68 | — | — | |
| SCHEMBL6635146 | 0.67 | — | — |
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-2018071283-A1 | KDM5 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |