⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1753430 | 0.86 | — | — | |
| SCHEMBL23436258 | 0.83 | — | — | |
| SCHEMBL92083 | 0.82 | — | — | |
| SCHEMBL12394893 | 0.81 | — | — | |
| SCHEMBL1753672 | 0.80 | — | — | |
| SCHEMBL12394903 | 0.78 | — | — | |
| SCHEMBL13171332 | 0.78 | — | — | |
| SCHEMBL17131276 | 0.77 | — | — | |
| SCHEMBL15695439 | 0.77 | — | — | |
| SCHEMBL12056722 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9850399-B2 | Water/oil-repellent treatment agent having heat resistance, method of preparation, and treated article | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-12-26 | — | — | US | disclosed |
| US-20160137878-A1 | WATER/OIL-REPELLENT TREATMENT AGENT HAVING HEAT RESISTANCE, METHOD OF PREPARATION, AND TREATED ARTICLE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2016-05-19 | — | — | US | disclosed |
| US-8129435-B2 | Perfluoropolyether-modified polysiloxane, a method for preparing the same and a defoaming agent comprising the same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2012-03-06 | — | — | US | disclosed |