⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL352636 | 0.93 | — | — | |
| SCHEMBL3978150 | 0.83 | ALDH1A1 (0.44) | — | |
| Ethylene Glycol SCHEMBL136585 | 0.80 | TSHR (0.42) | — | |
| SCHEMBL306968 | 0.77 | — | — | |
| Pivalate SCHEMBL27519097 | 0.77 | — | — | |
| SCHEMBL9352713 | 0.76 | ALDH1A1 (0.44) | — | |
| SCHEMBL8608900 | 0.76 | ALDH1A1 (0.44) | — | |
| 1,4-Butanediol SCHEMBL3009897 | 0.76 | GPR84 (0.42) | — | |
| SCHEMBL3005971 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL4025082 | 0.76 | TSHR (0.38) | — |
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-5663273-A | APPLYING TO IMPART OIL AND WATER REPELLENCY | CIBA-GEIGY CORPORATION (US) | 1997-09-02 | — | — | US | disclosed |
| US-5525732-A | MONO- OR DI-SULFATE SUBSTITUTED ALCOHOLS OR POLYOLS AS INTERMEDIATES FOR WATER OR OIL REPELLENT TREATMENTS FOR TEXTILES OR PAPER SIZINGS | CIBA-GEIGY CORPORATION (US) | 1996-06-11 | — | — | US | disclosed |
| US-5491261-A | INTERMEDIATES FOR POLYURETHANES, OIL AND WATER REPELLENT MATERIALS; PAPER SIZING | CIBA-GEIGY CORPORATION (US) | 1996-02-13 | — | — | US | disclosed |
| EP-0690039-A2 | Poly-perfluoroalkyl-substituted alcohols and acids, and derivatives thereof | CIBA-GEIGY AG (CH) | 1996-01-03 | — | — | EP | disclosed |