⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3102539 | 0.80 | — | — | |
| SCHEMBL25421446 | 0.73 | — | — | |
| SCHEMBL5451601 | 0.70 | — | — | |
| SCHEMBL24649639 | 0.70 | — | — | |
| SCHEMBL3110492 | 0.70 | — | — | |
| SCHEMBL18649060 | 0.70 | USP2 (0.53) | — | |
| SCHEMBL25251159 | 0.70 | USP2 (0.53) | — | |
| SCHEMBL3061566 | 0.70 | — | — | |
| SCHEMBL12988348 | 0.69 | USP2 (0.52) | — | |
| Hydrochloric Acid SCHEMBL20526534 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10975084-B2 | KDM5 inhibitors | MERCK SHARP & DOHME CORP. (US) | 2021-04-13 | — | — | US | disclosed |
| US-20200048258-A1 | KDM5 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2020-02-13 | — | — | US | disclosed |