⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL333136 | 0.82 | — | — | |
| SCHEMBL726552 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL23464977 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL23465681 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL23464978 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL1358704 | 0.67 | — | — | |
| SCHEMBL15081221 | 0.67 | — | — | |
| SCHEMBL17920795 | 0.67 | — | — | |
| Propane SCHEMBL28953754 | 0.65 | — | — | |
| SCHEMBL7062460 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7491773-B2 | Halogenated polymers with new sequence distributions | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2009-02-17 | — | — | US | claimed |
| EP-0840768-B1 | MIXTURES OF PENTAFLUOROPROPANE AND A HYDROFLUOROCARBON HAVING 4 TO 6 CARBON ATOMS | ELECTRIC POWER RES INST (US) | 2001-03-28 | — | — | EP | claimed |