⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11358217 | 0.83 | — | — | |
| SCHEMBL27916243 | 0.80 | PTPN1 (0.33) | — | |
| SCHEMBL28480702 | 0.78 | — | — | |
| SCHEMBL28478555 | 0.76 | — | — | |
| SCHEMBL31281679 | 0.76 | — | — | |
| SCHEMBL29129715 | 0.76 | — | — | |
| SCHEMBL11792706 | 0.74 | — | — | |
| SCHEMBL29054324 | 0.74 | — | — | |
| SCHEMBL31281686 | 0.73 | — | — | |
| SCHEMBL29016032 | 0.72 | TSHR (0.32) | — |
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-4128726-A | Process for the preparation of aryl esters of 3,5-di-t-butyl-4-hydroxybenzoic acid | AMERICAN CYANAMID COMPANY (US) | 1978-12-05 | — | — | US | disclosed |