⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21524935 | 1.00 | — | — | |
| SCHEMBL16740884 | 0.81 | SGPL1 (0.39) | — | |
| SCHEMBL15868232 | 0.81 | SGPL1 (0.32) | — | |
| SCHEMBL26285054 | 0.79 | — | — | |
| SCHEMBL16381727 | 0.76 | SGPL1 (0.36) | — | |
| SCHEMBL16377856 | 0.76 | — | — | |
| SCHEMBL17032229 | 0.75 | SGPL1 (0.45) | — | |
| SCHEMBL14400410 | 0.75 | TDP1 (0.32) | — | |
| SCHEMBL14701566 | 0.75 | TDP1 (0.32) | — | |
| SCHEMBL13713169 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3397629-B1 | METALLOENZYME INHIBITOR COMPOUNDS | NQP 1598 LTD (KY) | 2023-04-19 | — | — | EP | disclosed |
| CN-108779094-B | Metalloenzyme inhibitor compounds | NQP 1598公司 | 2021-11-16 | — | — | CN | disclosed |
| US-10464922-B2 | Metalloenzyme inhibitor compounds | NQP 1598, LTD. (US) | 2019-11-05 | — | — | US | disclosed |