⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11027939 | 0.79 | — | — | |
| SCHEMBL11027334 | 0.77 | LMNA (0.33) | — | |
| SCHEMBL11030702 | 0.67 | LMNA (0.32) | — | |
| SCHEMBL10144096 | 0.65 | — | — | |
| SCHEMBL10268705 | 0.65 | — | — | |
| SCHEMBL104328 | 0.65 | — | — | |
| SCHEMBL26698974 | 0.63 | ALDH1A1 (0.46) | — | |
| SCHEMBL5217235 | 0.62 | — | — | |
| SCHEMBL1298099 | 0.60 | — | — | |
| SCHEMBL3394975 | 0.60 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8815977-B2 | Process for producing conjugated diene-based polymer, conjugated diene-based polymer, and conjugated diene-based polymer composition | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 2014-08-26 | — | — | US | disclosed |
| US-20120245275-A1 | PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER, AND CONJUGATED DIENE-BASED POLYMER COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED | 2012-09-27 | — | — | US | disclosed |
| US-20120190771-A1 | PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER, AND CONJUGATED DIENE-BASED POLYMER COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED | 2012-07-26 | — | — | US | disclosed |