⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27563420 | 0.85 | — | — | |
| SCHEMBL15410573 | 0.67 | — | — | |
| SCHEMBL5597323 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL968769 | 0.65 | — | — | |
| SCHEMBL10494689 | 0.63 | — | — | |
| SCHEMBL12444302 | 0.63 | — | — | |
| SCHEMBL9144920 | 0.62 | — | — | |
| SCHEMBL9145237 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL7196410 | 0.62 | — | — | |
| SCHEMBL16223696 | 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-5502017-A | Metallocene catalyst containing bulky organic group | NORTHWESTERN UNIVERSITY (US) | 1996-03-26 | — | — | US | disclosed |