⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL630281 | 0.77 | — | — | |
| SCHEMBL27448768 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL27513502 | 0.77 | — | — | |
| SCHEMBL8411480 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL5608248 | 0.76 | — | — | |
| SCHEMBL1240109 | 0.75 | — | — | |
| SCHEMBL5975005 | 0.70 | — | — | |
| SCHEMBL6671633 | 0.70 | — | — | |
| Chloromethane SCHEMBL5608846 | 0.68 | — | — | |
| SCHEMBL8164675 | 0.63 | — | — |
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-1632532-A1 | SOLVENT DISPERSION OF COMPOSITE RESIN AND USES THEREOF | Mitsui Chemicals, Inc. (JP) | 2006-03-08 | — | — | EP | disclosed |
| US-6723794-B2 | TO PROVIDE MOLDED PRODUCTS HAVING EXCELLENT TENSILE STRENGTH, ELONGATION AT BREAK AND ELASTOMERIC PROPERTIES | MITSUI CHEMICALS, INC. (JP) | 2004-04-20 | — | — | US | disclosed |
| US-20030096912-A1 | To provide molded products having excellent tensile strength, elongation at break and elastomeric properties | MITSUI CHEMICALS, INC. (JP) | 2003-05-22 | — | — | US | disclosed |