⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2500202 | 0.83 | NCF1 (0.33) | — | |
| SCHEMBL1896676 | 0.81 | CYP1A2 (0.32) | — | |
| SCHEMBL66086 | 0.79 | CYP1A2 (0.39) | — | |
| SCHEMBL258245 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL2300309 | 0.74 | DPP4 (0.33) | — | |
| SCHEMBL11863358 | 0.74 | CYP2A6 (0.32) | — | |
| SCHEMBL258351 | 0.73 | TLR8 (0.36) | — | |
| SCHEMBL2494317 | 0.72 | GAA (0.31) | — | |
| SCHEMBL2498030 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL360721 | 0.71 | KCNH2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8497334-B2 | Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-07-30 | — | — | US | disclosed |
| US-20110245407-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 |