⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11544252 | 0.72 | LMNA (0.31) | — | |
| SCHEMBL11159600 | 0.69 | — | — | |
| SCHEMBL13786923 | 0.68 | — | — | |
| SCHEMBL16405076 | 0.63 | TSHR (0.35) | — | |
| SCHEMBL21995 | 0.62 | TSHR (0.34) | — | |
| SCHEMBL873793 | 0.61 | TSHR (0.33) | — | |
| SCHEMBL7251911 | 0.61 | LMNA (0.32) | — | |
| SCHEMBL11266775 | 0.61 | LMNA (0.32) | — | |
| SCHEMBL3041976 | 0.59 | — | — | |
| SCHEMBL237697 | 0.59 | — | — |
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-5488146-A | SULFONATING MALEIC ANHYDRIDE WITH SULFUR TRIOXIDE; ADDING GLYCOLIC ACID; SALT FORMATION WITH ALKALINE EARTH OR ALKALI METAL HYDROXIDE; PRECIPITATING; ION EXCHANGING WITH SODIUM SALT | LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) | 1996-01-30 | — | — | US | claimed |