⚠ 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 | |
|---|---|---|---|---|
| Phenol SCHEMBL9985932 | 0.81 | RARA (0.30) | — | |
| Phenol SCHEMBL437384 | 0.80 | HTR6 (0.34) | — | |
| Phenol SCHEMBL4436632 | 0.80 | HTR6 (0.34) | — | |
| Phenol SCHEMBL9986757 | 0.77 | RARA (0.30) | — | |
| SCHEMBL3999501 | 0.73 | — | — | |
| Phenol SCHEMBL9986388 | 0.72 | — | — | |
| SCHEMBL6357318 | 0.72 | HTR2A (0.33) | — | |
| SCHEMBL4366176 | 0.71 | KDM4E (0.30) | — | |
| Hydrochloric Acid SCHEMBL8017987 | 0.70 | HTR6 (0.33) | — | |
| Hydrochloric Acid SCHEMBL2778338 | 0.69 | ACHE (0.34) | — |
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 |