⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7188982 | 0.90 | — | — | |
| SCHEMBL6030637 | 0.80 | — | — | |
| SCHEMBL7188185 | 0.78 | — | — | |
| SCHEMBL7192962 | 0.77 | — | — | |
| SCHEMBL7194697 | 0.74 | — | — | |
| SCHEMBL4452482 | 0.72 | — | — | |
| SCHEMBL6030251 | 0.72 | — | — | |
| SCHEMBL10523899 | 0.72 | — | — | |
| SCHEMBL7189736 | 0.72 | — | — | |
| SCHEMBL7188737 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116574346-A | Optical resin composition and optical resin sheet | 旭化成株式会社 | 2023-08-11 | — | — | CN | disclosed |
| US-20030036620-A1 | From an aromatic isocyanate having a structure in which the isocyanate groups are not directly bonded to a benzene ring, an aliphatic isocyanate, an alicyclic isocyanate, and derivatives of these isocyanates. | MITSUI CHEMICALS, INC. (JP) | 2003-02-20 | — | — | US | disclosed |
| EP-1167416-A1 | URETHANE RESIN COMPOSITION FOR SEALING OPTOELECTRIC CONVERSION DEVICES | Mitsui Chemicals, Inc. (JP) | 2002-01-02 | — | — | EP | disclosed |