⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37970 | 0.93 | — | — | |
| SCHEMBL11424405 | 0.86 | — | — | |
| Ethylene Glycol SCHEMBL28219935 | 0.80 | — | — | |
| Cyanide SCHEMBL28044123 | 0.76 | — | — | |
| Pentane SCHEMBL27863563 | 0.76 | TSHR (0.60) | — | |
| SCHEMBL57598 | 0.71 | — | — | |
| Cyanide SCHEMBL28163137 | 0.69 | ALDH1A1 (0.54) | — | |
| SCHEMBL57894 | 0.69 | — | — | |
| SCHEMBL7616059 | 0.67 | TSHR (0.43) | — | |
| SCHEMBL4755738 | 0.67 | TSHR (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102574845-A | 1h-imidazo[4,5-c]quinolinone derivatives | NOVARTIS AG | 2012-07-11 | — | — | CN | disclosed |