⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3253954 | 0.65 | CYP2C19 (0.33) | — | |
| SCHEMBL3056009 | 0.56 | MAPT (0.50) | — | |
| SCHEMBL10041307 | 0.56 | SLC10A2 (0.33) | — | |
| SCHEMBL4872642 | 0.56 | ALDH1A1 (0.54) | — | |
| SCHEMBL5583947 | 0.55 | MEN1 (0.51) | — | |
| SCHEMBL5583900 | 0.55 | ALDH1A1 (0.53) | — | |
| SCHEMBL9266254 | 0.54 | P2RX7 (0.33) | — | |
| SCHEMBL18121990 | 0.54 | TSHR (0.61) | — | |
| SCHEMBL15480487 | 0.54 | ALOX15 (0.50) | — | |
| SCHEMBL12781078 | 0.54 | CA12 (0.56) | — |
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-20100172011-A1 | SEMI-ELECTROACTIVE MATERIAL CONTAINING ORGANIC COMPOUNDS HAVING POSITIVE OR NEGATIVE REDOX ACTIVITY, PROCESS AND KIT FOR MANUFACTURING THIS MATERIAL, ELECTRICALLY CONTROLLABLE DEVICE AND GLAZING UNITS USING SUCH A SEMI-ELECTROACTIVE MATERIAL | SAINT-GOBAIN GLASS FRANCE (FR) | 2010-07-08 | — | — | US | claimed |