⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27398424 | 0.92 | ALDH1A1 (0.35) | — | |
| SCHEMBL5186879 | 0.89 | — | — | |
| SCHEMBL27551435 | 0.86 | — | — | |
| SCHEMBL27808212 | 0.85 | NAAA (0.41) | — | |
| SCHEMBL8036124 | 0.84 | MGAM (0.36) | — | |
| SCHEMBL2130742 | 0.82 | — | — | |
| SCHEMBL28478468 | 0.81 | — | — | |
| SCHEMBL3116445 | 0.81 | — | — | |
| SCHEMBL28119781 | 0.81 | — | — | |
| SCHEMBL21874761 | 0.79 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100196289-A1 | DOUBLE LAYERED OXIDE AND HYDROXIDE PIGMENTS AND METHOD OF THEIR PREPARATION | RELIVIA S.R.L. (IT) | 2010-08-05 | — | — | US | disclosed |
| CN-100350894-C | Oral care compositions comprising dicarboxy functionalized polyorganosiloxanes | PROCTER & GAMBLE (US) | 2007-11-28 | — | — | CN | disclosed |
| CN-1652744-A | Oral care compositions comprising dicarboxy functionalized polyorganosiloxanes | PROCTER & GAMBLE (US) | 2005-08-10 | — | — | CN | disclosed |