⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18780354 | 0.79 | — | — | |
| SCHEMBL8487843 | 0.75 | — | — | |
| SCHEMBL456165 | 0.74 | — | — | |
| SCHEMBL29696046 | 0.72 | HSD17B1 (0.68) | — | |
| SCHEMBL92167 | 0.72 | — | — | |
| SCHEMBL272034 | 0.72 | HSD17B1 (0.68) | — | |
| Methylhydroquinone SCHEMBL29364957 | 0.72 | — | — | |
| Methylhydroquinone SCHEMBL10426478 | 0.72 | TP53 (0.62) | — | |
| SCHEMBL6293867 | 0.72 | — | — | |
| SCHEMBL29387276 | 0.72 | — | — |
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-9587198-B2 | Mannich base, production and use thereof | CHINA PETROLEUM & CHEMICAL CORPORATION (CN) | 2017-03-07 | — | — | US | disclosed |