⚠ 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL28274176 | 0.93 | ALDH1A1 (0.60) | — | |
| Heptane SCHEMBL28337697 | 0.90 | TSHR (0.60) | — | |
| Decane SCHEMBL28387770 | 0.90 | TSHR (0.60) | — | |
| Octane SCHEMBL28417877 | 0.90 | TSHR (0.60) | — | |
| Dodecane SCHEMBL28891142 | 0.90 | TSHR (0.60) | — | |
| Butylamine SCHEMBL8039411 | 0.88 | — | — | |
| Octane SCHEMBL28073373 | 0.88 | TSHR (0.57) | — | |
| Decane SCHEMBL28689347 | 0.88 | TSHR (0.57) | — | |
| Allylamine SCHEMBL8774885 | 0.86 | — | — | |
| Allylamine SCHEMBL7582519 | 0.85 | DNM1 (0.63) | — |
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-115605529-B | Photochromic polydiorganosiloxane vinyl cross-linking agent | 爱尔康公司 | 2024-03-26 | — | — | CN | disclosed |
| CN-116888193-A | Polysiloxane vinyl cross-linking agent with high refractive index | 爱尔康公司 | 2023-10-13 | — | — | CN | disclosed |
| CN-110621483-B | Silicone hydrogel contact lenses | 爱尔康公司 | 2021-10-29 | — | — | CN | disclosed |
| CN-113480736-A | Hydrophilized polydiorganosiloxane vinyl crosslinkers and uses thereof | 爱尔康公司 | 2021-10-08 | — | — | CN | disclosed |
| CN-108473681-B | Hydrophilized polydiorganosiloxane vinyl crosslinkers and uses thereof | 爱尔康公司 | 2021-07-20 | — | — | CN | disclosed |
| CN-106716182-B | Polymerizable polysiloxane with hydrophilic substituent | 爱尔康公司 | 2020-06-12 | — | — | CN | disclosed |
| CN-110621483-A | Silicone hydrogel contact lenses | 爱尔康公司 | 2019-12-27 | — | — | CN | disclosed |