⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10178677 | 0.90 | TP53 (0.36) | — | |
| SCHEMBL10179044 | 0.88 | TP53 (0.30) | — | |
| SCHEMBL10179156 | 0.88 | — | — | |
| SCHEMBL10178823 | 0.87 | CYP4F2 (0.31) | — | |
| SCHEMBL10178983 | 0.87 | — | — | |
| SCHEMBL10178962 | 0.86 | ACHE (0.31) | — | |
| SCHEMBL10178950 | 0.86 | — | — | |
| SCHEMBL10178776 | 0.86 | ACHE (0.31) | — | |
| SCHEMBL10178913 | 0.84 | ALDH1A1 (0.35) | — | |
| SCHEMBL10179126 | 0.84 | — | — |
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 2 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 |