⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5647074 | 0.87 | ESR1 (0.33) | — | |
| SCHEMBL12680911 | 0.81 | — | — | |
| SCHEMBL5650143 | 0.80 | ESR1 (0.31) | — | |
| SCHEMBL28490406 | 0.77 | — | — | |
| SCHEMBL12680910 | 0.76 | — | — | |
| SCHEMBL19220473 | 0.76 | — | — | |
| SCHEMBL12680908 | 0.75 | — | — | |
| SCHEMBL20912531 | 0.74 | — | — | |
| SCHEMBL20912526 | 0.74 | — | — | |
| SCHEMBL6414974 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1658319-B1 | MOLDING COMPOUND | BASF SE (DE) | 2009-11-04 | — | — | EP | disclosed |
| US-20060270800-A1 | Molding compound | BASF AKTIENGESELLSCHAFT (DE) | 2006-11-30 | — | — | US | disclosed |