⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16761010 | 0.82 | — | — | |
| SCHEMBL16761009 | 0.78 | — | — | |
| SCHEMBL7180133 | 0.71 | — | — | |
| SCHEMBL7180121 | 0.71 | — | — | |
| SCHEMBL15065464 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL15065463 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL23413401 | 0.67 | GRIK1 (0.32) | — | |
| SCHEMBL1761117 | 0.66 | — | — | |
| SCHEMBL28842350 | 0.66 | — | — | |
| SCHEMBL23037459 | 0.66 | ALOX15 (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2881442-B1 | POLYISOCYANATE COMPOSITION, SOLAR CELL MEMBER COVERING MATERIAL, SOLAR CELL MEMBER WITH COVERING LAYER, MICROCAPSULE, AND INK BINDER | MITSUI CHEMICALS INC (JP) | 2018-09-05 | — | — | EP | disclosed |
| US-9822212-B2 | Polyisocyanate composition, solar cell member covering material, solar cell member with cover layer, microcapsule, and binder for ink | MITSUI CHEMICALS, INC. (JP) | 2017-11-21 | — | — | US | disclosed |
| US-20150183922-A1 | POLYISOCYANATE COMPOSITION, SOLAR CELL MEMBER COVERING MATERIAL, SOLAR CELL MEMBER WITH COVER LAYER, MICROCAPSULE, AND BINDER FOR INK | MITSUI CHEMICALS, INC. (JP) | 2015-07-02 | — | — | US | disclosed |
| EP-2881442-A1 | POLYISOCYANATE COMPOSITION, SOLAR CELL MEMBER COVERING MATERIAL, SOLAR CELL MEMBER WITH COVERING LAYER, MICROCAPSULE, AND INK BINDER | Mitsui Chemicals, Inc. (JP) | 2015-06-10 | — | — | EP | disclosed |