⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6647064 | 0.81 | — | — | |
| SCHEMBL8932159 | 0.74 | TDP1 (0.30) | — | |
| SCHEMBL20549023 | 0.72 | BID (0.41) | — | |
| SCHEMBL9164495 | 0.72 | — | — | |
| SCHEMBL7857695 | 0.71 | — | — | |
| SCHEMBL5492262 | 0.70 | ACP3 (0.45) | — | |
| SCHEMBL28438124 | 0.70 | — | — | |
| SCHEMBL9670333 | 0.69 | TDP1 (0.42) | — | |
| SCHEMBL9860715 | 0.67 | LIPG (0.42) | — | |
| SCHEMBL2177804 | 0.67 | LIPG (0.42) | — |
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-6121264-A | GLUTAMATE RECEPTOR ANTAGONIST, AMPA RECEPTOR ANTAGONIST, NMDA-GLYCINE RECEPTOR ANTAGONIST, KAINIC ACID NEUROTOXICITY INHIBITOR, ANTIISCHEMIC AGENT, PSYCHOTROPIC AGENT | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 2000-09-19 | — | — | US | disclosed |
| EP-0919554-A1 | IMIDAZOLE-SUBSTITUTED QUINOXALINEDIONE DERIVATIVES | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1999-06-02 | — | — | EP | disclosed |