⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3602247 | 0.70 | — | — | |
| SCHEMBL9404584 | 0.65 | CA2 (0.45) | — | |
| SCHEMBL11328243 | 0.63 | — | — | |
| SCHEMBL27552000 | 0.63 | SHBG (0.34) | — | |
| SCHEMBL5737958 | 0.62 | NR3C1 (0.33) | — | |
| SCHEMBL6235866 | 0.60 | CASP3 (0.31) | — | |
| SCHEMBL6236435 | 0.60 | — | — | |
| SCHEMBL3602241 | 0.60 | — | — | |
| SCHEMBL29270064 | 0.59 | TAAR1 (0.47) | — | |
| SCHEMBL8599213 | 0.59 | MAPK1 (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0694532-B1 | Perfluoroalkyl sulfide, sulfone, polysulfone and polysulfide diols | CIBA SC HOLDING AG (CH) | 2000-05-31 | — | — | EP | claimed |
| EP-0694532-A1 | Perfluoroalkyl sulfide, sulfone, polysulfone and polysulfide diols | CIBA-GEIGY AG (CH) | 1996-01-31 | — | — | EP | claimed |
| EP-0694532-B1 | Perfluoroalkyl sulfide, sulfone, polysulfone and polysulfide diols | CIBA SC HOLDING AG (CH) | 2000-05-31 | — | — | EP | disclosed |
| US-5708119-A | POLYURETHANES FOR WATERPROOFING AND OIL REPELLENTS | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1998-01-13 | — | — | US | disclosed |
| US-5693747-A | REACTING PERFLUORINATED ALKYLENE OR OXYGEN, SULFUR, NITROGEN INTERRUPTED ALKYLENE SUBSTITUTED EPOXIDE WITH INORGANIC OR ORGANIC SULFUR COMPOUNDS OR ELEMENTAL SULFUR IN PRESENCE OF WATER AND ORGANIC SOLVENT | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1997-12-02 | — | — | US | disclosed |
| EP-0694532-A1 | Perfluoroalkyl sulfide, sulfone, polysulfone and polysulfide diols | CIBA-GEIGY AG (CH) | 1996-01-31 | — | — | EP | disclosed |