⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20957632 | 0.86 | ACHE (0.31) | — | |
| SCHEMBL9581102 | 0.77 | — | — | |
| SCHEMBL1948509 | 0.75 | SLC6A4 (0.41) | — | |
| Hydrochloric Acid SCHEMBL23023658 | 0.73 | SLC6A4 (0.40) | — | |
| Hydrochloric Acid SCHEMBL23023659 | 0.73 | SLC6A4 (0.40) | — | |
| SCHEMBL7724177 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL1007134 | 0.70 | — | — | |
| SCHEMBL4193068 | 0.70 | — | — | |
| SCHEMBL10818774 | 0.70 | ACHE (0.41) | — | |
| SCHEMBL30627 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3168256-B1 | EYEWEAR MATERIAL COMPRISING A POLYURETHANE RESIN, EYEWEAR FRAME AND LENS | MITSUI CHEMICALS INC (JP) | 2019-08-07 | — | — | EP | disclosed |
| EP-3037411-B1 | 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME AND LENS | MITSUI CHEMICALS INC (JP) | 2019-03-27 | — | — | EP | disclosed |
| EP-3168256-A1 | 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME, AND LENS | Mitsui Chemicals, Inc. (JP) | 2017-05-17 | — | — | EP | disclosed |
| EP-3037411-A1 | 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED PRODUCT, EYEWEAR MATERIAL, EYEWEAR FRAME AND LENS | Mitsui Chemicals, Inc. (JP) | 2016-06-29 | — | — | EP | disclosed |