⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19712133 | 0.75 | — | — | |
| SCHEMBL2101386 | 0.73 | — | — | |
| SCHEMBL15587206 | 0.69 | — | — | |
| SCHEMBL2103648 | 0.69 | — | — | |
| SCHEMBL12802155 | 0.67 | — | — | |
| SCHEMBL8899116 | 0.67 | — | — | |
| SCHEMBL2104090 | 0.67 | — | — | |
| SCHEMBL9845415 | 0.65 | — | — | |
| SCHEMBL329203 | 0.65 | HTT (0.32) | — | |
| SCHEMBL230819 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9587042-B2 | Process for producing modified conjugated diene-based polymer, modified conjugated diene-based polymer, and polymer composition | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-03-07 | — | — | US | disclosed |
| US-8835564-B2 | Method for producing modified conjugated diene-based polymer, and method for producing polymer composition | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2014-09-16 | — | — | US | disclosed |
| US-20140088256-A1 | METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHOD FOR PRODUCING POLYMER COMPOSITION | ZEON CORPORATION (JP) | 2014-03-27 | — | — | US | disclosed |
| US-20120252966-A1 | PROCESS FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, MODIFIED CONJUGATED DIENE-BASED POLYMER, AND POLYMER COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED | 2012-10-04 | — | — | US | disclosed |