⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28889266 | 0.81 | TRPA1 (0.43) | — | |
| SCHEMBL28889176 | 0.81 | TRPA1 (0.43) | — | |
| SCHEMBL28889172 | 0.81 | TRPA1 (0.43) | — | |
| SCHEMBL20357193 | 0.80 | — | — | |
| SCHEMBL14945660 | 0.79 | — | — | |
| SCHEMBL10630504 | 0.73 | — | — | |
| SCHEMBL5748302 | 0.72 | CYP3A4 (0.34) | — | |
| SCHEMBL1578919 | 0.71 | — | — | |
| SCHEMBL4260300 | 0.71 | MAPK1 (0.33) | — | |
| SCHEMBL6496531 | 0.69 | ALDH1A1 (0.39) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3345954-B1 | POLYROTAXANE, PRODUCTION METHOD THEREFOR, AND OPTICAL COMPOSITION CONTAINING SAID POLYROTAXANE | TOKUYAMA CORP (JP) | 2023-07-05 | — | — | EP | disclosed |
| US-11578174-B2 | Polyrotaxane, production method therefor, and optical composition containing said polyrotaxane | TOKUYAMA CORPORATION (JP) | 2023-02-14 | — | — | US | disclosed |
| CN-111154056-B | Optical composition containing polyrotaxane | 株式会社德山 | 2021-12-21 | — | — | CN | disclosed |
| CN-107922605-B | Polyrotaxane, process for producing the same, and optical composition containing the same | 株式会社德山 | 2020-12-11 | — | — | CN | disclosed |
| CN-111154056-A | Optical composition containing polyrotaxane | 株式会社德山 | 2020-05-15 | — | — | CN | disclosed |
| US-20200071467-A1 | Polyrotaxane, Production Method Therefor, and Optical Composition Containing said Polyrotaxane | TOKUYAMA CORPORATION (JP) | 2020-03-05 | — | — | US | disclosed |
| US-20180312643-A1 | Polyrotaxane, Production Method Therefor, and Optical Composition Containing said Polyrotaxane | TOKUYAMA CORPORATION (JP) | 2018-11-01 | — | — | US | disclosed |
| EP-3345954-A1 | POLYROTAXANE, PRODUCTION METHOD THEREFOR, AND OPTICAL COMPOSITION CONTAINING SAID POLYROTAXANE | Tokuyama Corporation (JP) | 2018-07-11 | — | — | EP | disclosed |