⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16694274 | 0.86 | ALDH1A1 (0.35) | — | |
| SCHEMBL28120828 | 0.85 | ALDH1A1 (0.34) | — | |
| SCHEMBL27584025 | 0.83 | ALDH1A1 (0.39) | — | |
| SCHEMBL9710019 | 0.78 | HPGD (0.44) | — | |
| SCHEMBL28838343 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL29030036 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL28043887 | 0.77 | EPHX1 (0.30) | — | |
| SCHEMBL28924849 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL28374907 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL5051971 | 0.77 | ALDH1A1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11014900-B2 | Hydrophilic compounds for optically active devices | MERCK PATENT GMBH (DE) | 2021-05-25 | — | — | US | disclosed |
| EP-3583098-B9 | HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES | MERCK PATENT GMBH (DE) | 2021-05-12 | — | — | EP | disclosed |
| EP-3583098-B1 | HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES | MERCK PATENT GMBH (DE) | 2020-10-28 | — | — | EP | disclosed |
| US-20200231559-A1 | HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES | MERCK PATENT GMBH (DE) | 2020-07-23 | — | — | US | disclosed |
| WO-2018149853-A1 | HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES | MERCK PATENT GMBH (DE) | 2018-08-23 | — | — | WO | disclosed |
| US-7572929-B2 | Dithiocarbonate containing macromers and polymers derived therefrom | ETHICON, INC. - USA (US) | 2009-08-11 | — | — | US | disclosed |
| US-20070225460-A1 | Dithiocarbonate-containing macromers and polymers derived therefrom | ENDO-SURGERY, INC. | 2007-09-27 | — | — | US | disclosed |