⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6232659 | 0.90 | — | — | |
| SCHEMBL17479399 | 0.87 | HTR2A (0.32) | — | |
| Hydrochloric Acid SCHEMBL8384457 | 0.86 | HTR2A (0.31) | — | |
| SCHEMBL6226922 | 0.84 | — | — | |
| SCHEMBL6227689 | 0.84 | SLC6A2 (0.30) | — | |
| SCHEMBL6226855 | 0.79 | — | — | |
| SCHEMBL6855505 | 0.77 | GPR3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7651852 | 0.77 | — | — | |
| SCHEMBL6226941 | 0.76 | NPC1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL814186 | 0.76 | GPR3 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3770190-A1 | ETHYLENE/& X3B1;-OLEFIN/NON-CONJUGATED POLYENE COPOLYMER, PRODUCTION METHOD THEREFOR, AND USE | Mitsui Chemicals, Inc. (JP) | 2021-01-27 | — | — | EP | disclosed |
| EP-2511305-A1 | Bridged metallocene compound for olefin polymerization and method of polymerizing olefin using the same | Mitsui Chemicals, Inc. (JP) | 2012-10-17 | — | — | EP | disclosed |
| EP-2465878-A1 | Bridged metallocene compound for olefin polymerization and method of polymerizing olefin using the same | Mitsui Chemicals, Inc. (JP) | 2012-06-20 | — | — | EP | disclosed |
| EP-2465879-A1 | Bridged metallocene compound for olefin polymerization and method of polymerizing olefin using the same | Mitsui Chemicals, Inc. (JP) | 2012-06-20 | — | — | EP | disclosed |