⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18663204 | 0.95 | — | — | |
| Bromide SCHEMBL18663127 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL18663180 | 0.94 | — | — | |
| Iodide SCHEMBL18663244 | 0.94 | — | — | |
| SCHEMBL18663186 | 0.92 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL18663154 | 0.87 | — | — | |
| SCHEMBL18663171 | 0.86 | NPSR1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL18663170 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL18663167 | 0.82 | KDM4E (0.32) | — | |
| Hydrochloric Acid SCHEMBL18663237 | 0.82 | — | — |
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-9932423-B2 | Hydrogenation of annulated cyclopentadienyl metal complexes and metallocene catalysts comprising such | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2018-04-03 | — | — | US | disclosed |
| US-20170088643-A1 | HYDROGENATION OF ANNULATED CYCLOPENTADIENYL METAL COMPLEXES AND METALLOCENE CATALYSTS COMPRISING SUCH | UNIVATION TECHNOLOGIES, LLC | 2017-03-30 | — | — | US | disclosed |