⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20644554 | 0.86 | NPBWR1 (0.33) | — | |
| SCHEMBL20644374 | 0.84 | — | — | |
| SCHEMBL20644460 | 0.80 | CNR1 (0.32) | — | |
| SCHEMBL20644697 | 0.74 | KDM4E (0.30) | — | |
| SCHEMBL20644525 | 0.73 | MAPT (0.44) | — | |
| SCHEMBL20644511 | 0.72 | MAPT (0.33) | — | |
| SCHEMBL20644372 | 0.69 | NPBWR1 (0.35) | — | |
| SCHEMBL20644391 | 0.68 | MAPT (0.45) | — | |
| SCHEMBL20644382 | 0.67 | MAPT (0.33) | — | |
| SCHEMBL20644439 | 0.63 | PRMT5 (0.37) | — |
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-10464922-B2 | Metalloenzyme inhibitor compounds | NQP 1598, LTD. (US) | 2019-11-05 | — | — | US | disclosed |
| US-20190016700-A1 | METALLOENZYME INHIBITOR COMPOUNDS | NQP 1598, LTD. (KY) | 2019-01-17 | — | — | US | disclosed |