⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8461187 | 0.87 | — | — | |
| SCHEMBL8462572 | 0.86 | — | — | |
| SCHEMBL1241073 | 0.81 | HTR1A (0.32) | — | |
| Hydrochloric Acid SCHEMBL8465409 | 0.80 | — | — | |
| SCHEMBL8464914 | 0.80 | EDNRB (0.34) | — | |
| SCHEMBL8465340 | 0.78 | HTR1A (0.33) | — | |
| SCHEMBL3816890 | 0.77 | SLC6A4 (0.34) | — | |
| SCHEMBL1240897 | 0.77 | — | — | |
| SCHEMBL8465874 | 0.77 | DRD2 (0.34) | — | |
| SCHEMBL6013799 | 0.77 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |