⚠ 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 SCHEMBL17096199 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL17060146 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL17060035 | 0.90 | PTGS2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL17060185 | 0.89 | ADORA3 (0.30) | — | |
| Hydrochloric Acid SCHEMBL17060187 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL17096967 | 0.88 | NQO2 (0.31) | — | |
| SCHEMBL17060089 | 0.87 | PTGS1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL17060034 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL17060056 | 0.87 | PTGS1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL17096177 | 0.87 | KDM4E (0.31) | — |
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-9902749-B2 | Metallocene complex and olefin polymerization method | JAPAN POLYPROPYLENE CORPORATION (JP) | 2018-02-27 | — | — | US | disclosed |
| US-20150266914-A1 | METALLOCENE COMPLEX AND OLEFIN POLYMERIZATION METHOD | JAPAN POLYPROPYLENE CORPORATION (JP) | 2015-09-24 | — | — | US | disclosed |