⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4878646 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1644088 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL6834669 | 0.97 | — | — | |
| Biphenyl SCHEMBL7655380 | 0.90 | SOAT1 (0.32) | — | |
| SCHEMBL7108087 | 0.82 | NAAA (0.35) | — | |
| SCHEMBL8333237 | 0.81 | EPHX1 (0.32) | — | |
| SCHEMBL822593 | 0.80 | NAAA (0.33) | — | |
| SCHEMBL251872 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL2049176 | 0.67 | — | — | |
| SCHEMBL822343 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006096319-A2 | ZIEGLER-TYPE CATALYSTS HAVING INCREASED PRODUCTIVITY | UNIVATION TECHNOLOGIES, LLC (US) | 2006-09-14 | — | — | WO | disclosed |