⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7639210 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL4893110 | 0.68 | — | — | |
| SCHEMBL4441988 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL8601770 | 0.65 | — | — | |
| SCHEMBL7193994 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL4463417 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL7642071 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL7638012 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL2538865 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL376558 | 0.62 | — | — |
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-20040097366-A1 | Polyolefin-based composite resin, method for production thereof, catalyst for polymerization of vinly compound and method for polymerization of vinly compound using the same | IDEMITSU KOSAN CO. LTD. (JP) | 2004-05-20 | — | — | US | disclosed |