⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL28146116 | 0.98 | — | — | |
| SCHEMBL28027262 | 0.88 | — | — | |
| Water SCHEMBL28079988 | 0.86 | — | — | |
| SCHEMBL28022071 | 0.81 | — | — | |
| Water SCHEMBL28065055 | 0.79 | — | — | |
| SCHEMBL29070020 | 0.79 | — | — | |
| SCHEMBL1066134 | 0.78 | — | — | |
| Water SCHEMBL28089923 | 0.77 | — | — | |
| SCHEMBL27975511 | 0.76 | DNM1 (0.31) | — | |
| SCHEMBL188323 | 0.76 | SMN1; SMN2 (0.41) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105441920-B | With silane coupling agent metal conditioner as main component and preparation method thereof | 上海耀岩化学品有限公司 | 2018-11-30 | — | — | CN | disclosed |
| CN-107428905-A | Polyether carbonate polyol is used for the purposes for manufacturing the polyurethane foamed material of colour stable | 科思创德国股份有限公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-107250192-A | Viscoelastic polyurethane flexible foam material based on polyether carbonate polyols | 科思创德国股份有限公司 | 2017-10-13 | — | — | CN | disclosed |
| CN-103392221-B | Curing combination for nanometer stamping, nano impression formed body and pattern formation method | DIC株式会社 | 2016-08-10 | — | — | CN | disclosed |
| US-20090078154-A1 | Coating Agent for Optical Instrument | KAO CORPORATION (JP) | 2009-03-26 | — | — | US | disclosed |
| EP-1868012-A1 | COATING AGENT FOR OPTICAL INSTRUMENT | Kao Corporation (JP) | 2007-12-19 | — | — | EP | disclosed |
| EP-0526975-B1 | Coating composition for optical plastic moldings | ITOH OPTICAL IND (JP) | 1995-07-26 | — | — | EP | disclosed |