⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3683189 | 0.75 | NAAA (0.38) | — | |
| SCHEMBL435016 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL3689809 | 0.73 | NAAA (0.41) | — | |
| SCHEMBL3685424 | 0.73 | NAAA (0.41) | — | |
| SCHEMBL3682743 | 0.73 | NAAA (0.41) | — | |
| SCHEMBL13138897 | 0.73 | POLB (0.34) | — | |
| SCHEMBL5597509 | 0.73 | — | — | |
| SCHEMBL6120645 | 0.72 | TSHR (0.42) | — | |
| SCHEMBL3678777 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL16353782 | 0.70 | FFAR1 (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8119710-B2 | Filled rubber compounds with improved processability | BASF SE (DE) | 2012-02-21 | — | — | US | disclosed |
| US-20100317778-A1 | Filled Rubber Compounds with Improved Processability | CIBA CORPORATION | 2010-12-16 | — | — | US | disclosed |
| EP-1928888-A1 | FILLED RUBBER COMPOUNDS WITH IMPROVED PROCESSABILITY | Ciba Holding Inc. (CH) | 2008-06-11 | — | — | EP | disclosed |
| WO-2007039416-A1 | FILLED RUBBER COMPOUNDS WITH IMPROVED PROCESSABILITY | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2007-04-12 | — | — | WO | disclosed |