⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12802194 | 0.89 | — | — | |
| SCHEMBL15969328 | 0.84 | — | — | |
| SCHEMBL15969350 | 0.81 | — | — | |
| SCHEMBL15969698 | 0.81 | — | — | |
| SCHEMBL15968970 | 0.81 | — | — | |
| SCHEMBL12802358 | 0.79 | — | — | |
| SCHEMBL15969174 | 0.78 | — | — | |
| SCHEMBL379590 | 0.77 | THRB (0.32) | — | |
| SCHEMBL15969982 | 0.75 | — | — | |
| SCHEMBL379574 | 0.75 | THRB (0.31) | — |
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-8933165-B2 | Method for producing modified conjugated diene-based polymer, and method for producing polymer composition | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-01-13 | — | — | US | disclosed |
| US-20140088242-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 |