⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2502566 | 0.90 | MEN1 (0.31) | — | |
| SCHEMBL2507270 | 0.82 | — | — | |
| SCHEMBL2506766 | 0.78 | KDM5A (0.31) | — | |
| SCHEMBL2506362 | 0.76 | — | — | |
| SCHEMBL2500045 | 0.73 | MAPT (0.32) | — | |
| SCHEMBL2506448 | 0.73 | — | — | |
| SCHEMBL25669085 | 0.73 | CA12 (0.34) | — | |
| SCHEMBL24525727 | 0.71 | HTR2A (0.34) | — | |
| SCHEMBL2507266 | 0.71 | — | — | |
| SCHEMBL2506979 | 0.68 | CYP2C19 (0.30) | — |
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-8304488-B2 | Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-11-06 | — | — | US | disclosed |
| US-20110245408-A1 | CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-10-06 | — | — | US | disclosed |