⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1582674 | 0.88 | BRD4 (0.30) | — | |
| Hydrochloric Acid SCHEMBL8463216 | 0.88 | DRD2 (0.31) | — | |
| SCHEMBL5981941 | 0.86 | EDNRB (0.31) | — | |
| SCHEMBL6763284 | 0.83 | HTR1A (0.30) | — | |
| SCHEMBL7807191 | 0.81 | BRD4 (0.32) | — | |
| SCHEMBL5604829 | 0.80 | BRD4 (0.31) | — | |
| SCHEMBL6754871 | 0.80 | BRD4 (0.31) | — | |
| SCHEMBL6433408 | 0.80 | — | — | |
| SCHEMBL6433403 | 0.80 | — | — | |
| SCHEMBL28034432 | 0.79 | BRD4 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0812854-B2 | Novel transition metal compound, olefin polymerization catalyst comprising said compound, process for olefin polymerization using said catalyst and propylene homo- and copolymer | MITSUI CHEMICALS INC (JP) | 2011-04-20 | — | — | EP | claimed |