⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1402874 | 0.91 | — | — | |
| SCHEMBL21409495 | 0.85 | — | — | |
| SCHEMBL3849230 | 0.82 | — | — | |
| SCHEMBL4864540 | 0.82 | — | — | |
| SCHEMBL21635483 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL13636435 | 0.80 | — | — | |
| SCHEMBL4855438 | 0.79 | — | — | |
| SCHEMBL28027316 | 0.79 | — | — | |
| SCHEMBL28217635 | 0.78 | — | — | |
| SCHEMBL6839900 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113166311-B | Composition for optical material and optical material | 株式会社德山 | 2023-01-06 | — | — | CN | disclosed |
| CN-111868099-B | Method for setting polymerization conditions and method for producing optical material | 三井化学株式会社 | 2022-12-16 | — | — | CN | disclosed |
| CN-113166311-A | Composition for optical material and optical material | 株式会社德山 | 2021-07-23 | — | — | CN | disclosed |
| CN-104903754-B | Optical material, composition for optical material, and use thereof | 三井化学株式会社 | 2020-05-22 | — | — | CN | disclosed |
| WO-2020022369-A1 | METHOD FOR SETTING POLYMERIZATION CONDITIONS AND METHOD FOR PRODUCING OPTICAL MATERIAL | 三井化学株式会社 | 2020-01-30 | — | — | WO | disclosed |
| WO-2019187176-A1 | METHOD FOR SETTING POLYMERIZATION CONDITIONS AND METHOD FOR PRODUCING OPTICAL MATERIAL | 三井化学株式会社 | 2019-10-03 | — | — | WO | disclosed |
| US-6770734-B2 | POLYMERIZABLE TO MAKE POLYTHIOURETHANES; LENSES WITH A HIGH REFRACTIVE INDEX | MITSUI CHEMICALS, INC. (JP) | 2004-08-03 | — | — | US | disclosed |
| US-20030149230-A1 | Polythiol compound | MITSUI CHEMICALS, INC. (JP) | 2003-08-07 | — | — | US | disclosed |