⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2188141 | 0.83 | CES2 (0.36) | — | |
| SCHEMBL13826979 | 0.81 | — | — | |
| SCHEMBL19655551 | 0.78 | — | — | |
| SCHEMBL16473077 | 0.78 | — | — | |
| SCHEMBL7626692 | 0.78 | — | — | |
| SCHEMBL28770025 | 0.76 | — | — | |
| SCHEMBL13826960 | 0.75 | — | — | |
| SCHEMBL5074333 | 0.75 | — | — | |
| SCHEMBL6536813 | 0.74 | — | — | |
| SCHEMBL45499 | 0.74 | — | — |
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-0921109-B1 | METHOD FOR PURIFYING 1,1,1,3,3-PENTAFLUOROPROPANE | DAIKIN IND LTD (JP) | 2002-01-23 | — | — | EP | claimed |
| US-6191328-B1 | EXTRACTION; PURIFICATION | DAIKIN INDUSTRIES, LTD. (JP) | 2001-02-20 | — | — | US | claimed |
| EP-0921109-A1 | METHOD FOR PURIFYING 1,1,1,3,3-PENTAFLUOROPROPANE | DAIKIN INDUSTRIES, LIMITED (JP) | 1999-06-09 | — | — | EP | claimed |