⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10572990 | 0.79 | LMNA (0.38) | — | |
| SCHEMBL15174708 | 0.75 | LMNA (0.35) | — | |
| SCHEMBL9595382 | 0.74 | SLC1A3 (0.33) | — | |
| SCHEMBL1177030 | 0.72 | HDAC1 (0.41) | — | |
| SCHEMBL249763 | 0.72 | MAPT (0.35) | — | |
| SCHEMBL5718397 | 0.72 | MMP1 (0.39) | — | |
| SCHEMBL5585372 | 0.71 | ALDH1A1 (0.39) | — | |
| Acetic Acid SCHEMBL20657787 | 0.71 | FFAR3 (0.39) | — | |
| SCHEMBL2573659 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL4672957 | 0.70 | LCK (0.34) | — |
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-20110135945-A1 | MESOSTRUCTURED COATINGS COMPRISING A SPECIFIC TEXTURE AGENT FOR APPLICATION IN AERONAUTICS AND AEROSPACE | EURO. AERONAUTIC DEFENCE AND SPACE CO. EADS FRANCE (FR) | 2011-06-09 | — | — | US | disclosed |