⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL78817 | 0.80 | — | — | |
| SCHEMBL8542437 | 0.79 | — | — | |
| Water SCHEMBL28287400 | 0.78 | — | — | |
| SCHEMBL570558 | 0.78 | — | — | |
| SCHEMBL4185532 | 0.78 | — | — | |
| SCHEMBL303732 | 0.78 | — | — | |
| SCHEMBL982977 | 0.78 | — | — | |
| SCHEMBL11357654 | 0.78 | — | — | |
| SCHEMBL10405313 | 0.78 | — | — | |
| SCHEMBL129261 | 0.76 | — | — |
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-5358996-A | Contains perfluoroalkyl group and at least one terminal has a silicon-containing organic group | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1994-10-25 | — | — | US | disclosed |