⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7190931 | 0.86 | — | — | |
| SCHEMBL9353284 | 0.83 | — | — | |
| SCHEMBL8461453 | 0.83 | — | — | |
| SCHEMBL4652578 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL6470933 | 0.80 | — | — | |
| SCHEMBL28350421 | 0.79 | KCNH2 (0.35) | — | |
| SCHEMBL2236777 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL60755 | 0.77 | — | — | |
| SCHEMBL5090527 | 0.75 | — | — | |
| SCHEMBL924416 | 0.74 | NPC1 (0.33) | — |
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-6524520-B1 | Extruding parison of ethylene-A-olefin copolymer; controlling pressure, blow molding; high mechanical strength | MITSUI CHEMICALS, INC. (JP) | 2003-02-25 | — | — | US | disclosed |