⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9985215 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL9985570 | 0.85 | RARA (0.31) | — | |
| Phenol SCHEMBL9985932 | 0.84 | RARA (0.30) | — | |
| Phenol SCHEMBL9986757 | 0.80 | RARA (0.30) | — | |
| SCHEMBL31235601 | 0.74 | RXRA (0.31) | — | |
| SCHEMBL4970465 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL31265039 | 0.71 | — | — | |
| SCHEMBL31265009 | 0.71 | — | — | |
| SCHEMBL9986401 | 0.71 | — | — | |
| SCHEMBL9985953 | 0.70 | RXRA (0.31) | — |
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-8383848-B2 | Transition metal compound and catalyst for olefin polymerization | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-02-26 | — | — | US | disclosed |
| US-20110319578-A1 | TRANSITION METAL COMPOUND AND CATALYST FOR OLEFIN POLYMERIZATION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-12-29 | — | — | US | disclosed |