⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16335957 | 0.71 | — | — | |
| SCHEMBL4312581 | 0.68 | — | — | |
| SCHEMBL5701191 | 0.64 | — | — | |
| SCHEMBL4902402 | 0.64 | — | — | |
| SCHEMBL11121015 | 0.64 | — | — | |
| SCHEMBL11122396 | 0.62 | — | — | |
| Butane SCHEMBL11872854 | 0.58 | CA12 (0.71) | — | |
| SCHEMBL10607032 | 0.57 | — | — | |
| SCHEMBL29663584 | 0.57 | — | — | |
| Trientine SCHEMBL11871850 | 0.56 | CA12 (0.73) | — |
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-20170073527-A1 | HYDROPHOBING AGENT FOR COATINGS | WACKER CHEMIE AG (DE) | 2017-03-16 | — | — | US | disclosed |
| US-20150000562-A1 | HYDROPHOBING AGENT FOR COATINGS | WACKER CHEMIE AG (DE) | 2015-01-01 | — | — | US | disclosed |
| US-20080190851-A1 | Crosslinkable Materials Based on Organosilicon Compounds | WACKER CHEMIE AG (DE) | 2008-08-14 | — | — | US | disclosed |