⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4602878 | 0.86 | BCHE (0.30) | — | |
| SCHEMBL65488 | 0.86 | — | — | |
| Fluoride Ion SCHEMBL7591930 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL17801685 | 0.82 | — | — | |
| Iodomethane SCHEMBL10515569 | 0.79 | — | — | |
| SCHEMBL9260713 | 0.78 | — | — | |
| SCHEMBL5708009 | 0.78 | — | — | |
| SCHEMBL4300333 | 0.78 | — | — | |
| Perchlorate SCHEMBL2991816 | 0.72 | KDM4E (0.31) | — | |
| SCHEMBL9174215 | 0.71 | NPSR1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0646979-B1 | MATERIAL FOR GENERATING ELECTRIC ENERGY | DAIKIN IND LTD (JP) | 1998-11-11 | — | — | EP | disclosed |
| EP-0646979-A1 | MATERIAL FOR GENERATING ELECTRIC ENERGY | DAIKIN INDUSTRIES, LTD. (JP) | 1995-04-05 | — | — | EP | disclosed |