⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL309449 | 0.63 | — | — | |
| SCHEMBL21637972 | 0.63 | — | — | |
| SCHEMBL11005238 | 0.61 | — | — | |
| SCHEMBL159141 | 0.59 | — | — | |
| SCHEMBL28563909 | 0.59 | — | — | |
| SCHEMBL11469697 | 0.59 | — | — | |
| SCHEMBL159140 | 0.59 | — | — | |
| SCHEMBL2933911 | 0.59 | FDPS (0.31) | — | |
| SCHEMBL16063082 | 0.59 | — | — | |
| Propane SCHEMBL28953754 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0155423-A2 | Heat pumps | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-09-25 | — | — | EP | disclosed |