⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1026826 | 0.66 | PRCP (0.32) | — | |
| Hydrochloric Acid SCHEMBL4067289 | 0.65 | — | — | |
| SCHEMBL7790668 | 0.60 | — | — | |
| SCHEMBL7795187 | 0.60 | — | — | |
| SCHEMBL217948 | 0.59 | BRD4 (0.32) | — | |
| SCHEMBL7790722 | 0.58 | — | — | |
| SCHEMBL7790726 | 0.58 | — | — | |
| SCHEMBL7794484 | 0.57 | HTR2A (0.32) | — | |
| SCHEMBL7795056 | 0.56 | — | — | |
| SCHEMBL7790797 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1710247-B1 | TRANSITION METAL COMPOUND AND CATALYST FOR OLEFIN POLYMERIZATION | IDEMITSU KOSAN CO (JP) | 2009-10-21 | — | — | EP | disclosed |
| EP-1710247-A1 | TRANSITION METAL COMPOUND AND CATALYST FOR OLEFIN POLYMERIZATION | IDEMITSU KOSAN CO., LTD. (JP) | 2006-10-11 | — | — | EP | disclosed |