⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11198313 | 0.75 | — | — | |
| SCHEMBL17117164 | 0.75 | — | — | |
| SCHEMBL5858948 | 0.73 | PTGS1 (0.37) | — | |
| SCHEMBL11883270 | 0.73 | PTGS1 (0.37) | — | |
| SCHEMBL1790447 | 0.73 | — | — | |
| SCHEMBL6066420 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL16326317 | 0.71 | — | — | |
| SCHEMBL16326318 | 0.71 | — | — | |
| SCHEMBL569102 | 0.71 | — | — | |
| SCHEMBL6066423 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0348350-B1 | HETEROATOM CONTAINING PERFLUOROALKYL TERMINATED NEOPENTYL GLYCOLS AND POLYMERS THEREFROM | CIBA-GEIGY AG (CH) | 1993-01-20 | — | — | EP | disclosed |
| US-5045624-A | Polyesters, Polyurethanes | CIBA-GEIGY CORPORATION (US) | 1991-09-03 | — | — | US | disclosed |
| US-4946992-A | OIL REPELLENT, WATERPROOFING | CIBA-GEIGY CORPORATION (US) | 1990-08-07 | — | — | US | disclosed |
| US-4898981-A | OIL REPELLENTS AND WATERPROOFING | CIBA-GEIGY CORPORATION (US) | 1990-02-06 | — | — | US | disclosed |
| EP-0348350-A1 | Heteroatom containing perfluoroalkyl terminated neopentyl glycols and polymers therefrom | CIBA-GEIGY AG (CH) | 1989-12-27 | — | — | EP | disclosed |