⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28010926 | 0.75 | — | — | |
| SCHEMBL31709992 | 0.72 | MEN1 (0.86) | — | |
| SCHEMBL9093617 | 0.72 | MEN1 (0.86) | — | |
| SCHEMBL136652 | 0.72 | — | — | |
| SCHEMBL14916717 | 0.72 | MEN1 (0.86) | — | |
| SCHEMBL23398193 | 0.67 | MEN1 (0.75) | — | |
| SCHEMBL887970 | 0.67 | MEN1 (0.75) | — | |
| SCHEMBL144783 | 0.67 | MEN1 (0.75) | — | |
| SCHEMBL3899631 | 0.67 | MEN1 (0.75) | — | |
| SCHEMBL3907819 | 0.67 | MEN1 (0.75) | — |
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-1056858-C | Composition for urethane-base plastic lens, urethane-base plastic lens obtained from the composition and process for the production of the plastic lens | MITSUI TOATSU CHEMICALS (JP) | 2000-09-27 | — | — | CN | disclosed |
| US-5693738-A | REACTING AN ISOCYANATE AND/OR AN ISOTHIOCYANATE COMPOUND WITH A HYDROXYL AND/OR MERCAPTO-CONTAINING COMPOUND IN THE PRESENCE OF A COMPLEX OF A TERTIARY AMINE AND A LEWIS ACID | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-12-02 | — | — | US | disclosed |
| CN-1119195-A | Composition for urethane-base plastic lens, urethane-base plastic lens obtained from the composition and process for the production of the plastic lens | MITSUI TOATSU CHEMICALS (JP) | 1996-03-27 | — | — | CN | disclosed |