⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12920079 | 0.85 | HSD17B10 (0.37) | — | |
| SCHEMBL18556369 | 0.78 | HSD17B10 (0.41) | — | |
| SCHEMBL15423953 | 0.74 | — | — | |
| SCHEMBL19312318 | 0.72 | HSD17B10 (0.39) | — | |
| SCHEMBL808906 | 0.71 | — | — | |
| SCHEMBL808905 | 0.71 | — | — | |
| SCHEMBL27727213 | 0.70 | HSD17B10 (0.32) | — | |
| SCHEMBL6426443 | 0.69 | — | — | |
| SCHEMBL1365394 | 0.69 | — | — | |
| SCHEMBL1365395 | 0.69 | — | — |
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-0022607-B1 | PROCESS FOR THE PREPARATION OF HALOGENATED HYDROCARBONS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-01-12 | — | — | EP | disclosed |
| US-4332962-A | RHODIUM COMPOUND AS CATALYST FOR CYCLIZATION OF A PENTADIENE | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1982-06-01 | — | — | US | disclosed |
| EP-0007154-A1 | Process for the preparation of cyclopropane derivatives, intermediates in the synthesis of pyrethroid insecticides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1980-01-23 | — | — | EP | disclosed |