⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL612609 | 0.83 | L3MBTL1 (0.44) | — | |
| SCHEMBL614331 | 0.76 | HTR3A (0.45) | — | |
| SCHEMBL18724604 | 0.75 | HTR2A (0.43) | — | |
| SCHEMBL612242 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL18724580 | 0.71 | TP53 (0.39) | — | |
| SCHEMBL21020629 | 0.70 | ALDH1A1 (0.50) | — | |
| SCHEMBL8154014 | 0.69 | MEN1 (0.46) | — | |
| SCHEMBL30969109 | 0.67 | SORT1 (0.37) | — | |
| SCHEMBL1553967 | 0.67 | SORT1 (0.37) | — | |
| SCHEMBL23128682 | 0.66 | CYP3A4 (0.45) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8367765-B2 | Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-02-05 | — | — | US | disclosed |
| US-20120041135-A1 | CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-02-16 | — | — | US | disclosed |