⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8461923 | 0.85 | — | — | |
| SCHEMBL1241158 | 0.84 | KDM4E (0.31) | — | |
| SCHEMBL6013778 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL8465322 | 0.79 | DRD2 (0.34) | — | |
| Hydrochloric Acid SCHEMBL8465701 | 0.79 | — | — | |
| SCHEMBL1240278 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL8461918 | 0.74 | — | — | |
| SCHEMBL8457944 | 0.74 | — | — | |
| SCHEMBL8462516 | 0.74 | — | — | |
| SCHEMBL5951653 | 0.73 | TRPA1 (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-5859272-A | METALLOCENES; PRODUCES POLYOLEFINS HAVING A HIGH MELTING POINT AND A HIGH MOLECULAR WEIGHT; HIGH POLYMERIZATION ACTIVITY | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1999-01-12 | — | — | US | disclosed |
| US-5616663-A | TRANSITION METAL COMPOUND, ALUMINOXANE, COMPOUND WHICH REACTS WITH TRANSITION METAL COMPOUND TO FORM ION PAIR | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1997-04-01 | — | — | US | disclosed |