⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6518034 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL6410655 | 0.70 | CASP2 (0.36) | — | |
| SCHEMBL976504 | 0.69 | CA12 (0.44) | — | |
| SCHEMBL3437722 | 0.69 | TSHR (0.42) | — | |
| SCHEMBL3891529 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL3891206 | 0.67 | ARG1 (0.34) | — | |
| SCHEMBL692449 | 0.66 | — | — | |
| SCHEMBL2058636 | 0.66 | TSHR (0.37) | — | |
| SCHEMBL3337531 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL1069336 | 0.65 | MAOA (0.38) | — |
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-8318858-B2 | Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-11-27 | — | — | US | disclosed |
| US-20100056713-A1 | CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-03-04 | — | — | US | disclosed |