⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19303910 | 0.76 | — | — | |
| SCHEMBL14043652 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL13117350 | 0.72 | — | — | |
| SCHEMBL19969873 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL19964349 | 0.70 | — | — | |
| SCHEMBL27397558 | 0.69 | MGAM (0.35) | — | |
| SCHEMBL8368686 | 0.69 | — | — | |
| SCHEMBL16938589 | 0.69 | — | — | |
| SCHEMBL8181918 | 0.67 | — | — | |
| SCHEMBL8366430 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3440053-B1 | METHOD FOR PRODUCING XYLYLENE DIISOCYANATE (XDI) | VENCOREX FRANCE (FR) | 2023-09-27 | — | — | EP | disclosed |
| US-20230202971-A1 | XYLYLENE DIISOCYANATE COMPOSITION, POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, RESIN, MOLDED ARTICLE, OPTICAL ELEMENT, AND LENS | MITSUI CHEMICALS, INC. (JP) | 2023-06-29 | — | — | US | disclosed |
| WO-2017174765-A1 | METHOD FOR PRODUCING XYLYLENE DIISOCYANATE (XDI) | VENCOREX FRANCE (FR) | 2017-10-12 | — | — | WO | disclosed |