⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14802874 | 0.81 | — | — | |
| SCHEMBL23254601 | 0.80 | — | — | |
| SCHEMBL19144233 | 0.77 | CES1 (0.46) | — | |
| SCHEMBL627922 | 0.76 | — | — | |
| SCHEMBL17012497 | 0.75 | — | — | |
| SCHEMBL20000703 | 0.72 | — | — | |
| SCHEMBL11856981 | 0.72 | — | — | |
| SCHEMBL6159182 | 0.71 | — | — | |
| SCHEMBL15545947 | 0.69 | HDAC3 (0.43) | — | |
| SCHEMBL5801095 | 0.69 | HDAC3 (0.43) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9388206-B2 | Chromophores with perfluoroalkyl substituents | BASF SE (DE) | 2016-07-12 | — | — | US | disclosed |
| US-20140103635-A1 | CHROMOPHORES WITH PERFLUOROALKYL SUBSTITUENTS | BASF SE (DE) | 2014-04-17 | — | — | US | disclosed |
| US-8183325-B2 | Mixture of polyoxyalkylene radical, polysiloxane radicals and perfluorocyclobutane radical; medical equipment; contact lenses | BAUSCH & LOMB INCORPORATED (US) | 2012-05-22 | — | — | US | disclosed |
| US-20080234454-A1 | PERFLUOROCYCLOBUTANE COPOLYMERS | PRZEDSIEBIORSTWO FARMACEUTYCZNE JELFA SPOLKA AKCYJNA (A/K/A PRZEDSIEBIORSTWO FARMACEUTYCZNE JELFA S.A.) (PL) | 2008-09-25 | — | — | US | disclosed |