⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9589401 | 0.80 | PARP1 (0.36) | — | |
| SCHEMBL9590411 | 0.75 | NPC1 (0.35) | — | |
| SCHEMBL9592029 | 0.72 | GRIN2D (0.42) | — | |
| SCHEMBL9590174 | 0.71 | PARP1 (0.35) | — | |
| SCHEMBL9589391 | 0.71 | PARP1 (0.35) | — | |
| SCHEMBL9589886 | 0.70 | CHRM1 (0.39) | — | |
| SCHEMBL9588448 | 0.68 | KDM4E (0.30) | — | |
| SCHEMBL9588552 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL9589444 | 0.67 | PARP1 (0.37) | — | |
| SCHEMBL7025005 | 0.67 | NPC1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5216003-A | Antihypoxic, antiischemic agents | G. D. SEARLE & CO. (US) | 1993-06-01 | — | — | US | disclosed |