⚠ 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 | |
|---|---|---|---|---|
| Hydroquinone SCHEMBL29045018 | 0.95 | ALOX15 (0.80) | — | |
| Hydroquinone SCHEMBL11511669 | 0.94 | ALOX15 (1.00) | — | |
| Hydroquinone SCHEMBL15516 | 0.94 | — | — | |
| Hydroquinone SCHEMBL460669 | 0.94 | ALOX15 (1.00) | — | |
| Hydroquinone SCHEMBL1550018 | 0.89 | — | — | |
| Hydroquinone SCHEMBL5597519 | 0.89 | ALOX15 (0.89) | — | |
| Hydroquinone SCHEMBL5051994 | 0.89 | CA3 (0.89) | — | |
| Hydroquinone SCHEMBL20580953 | 0.89 | — | — | |
| Hydroquinone SCHEMBL10531803 | 0.89 | ALOX15 (0.89) | — | |
| Hydroquinone SCHEMBL2468660 | 0.89 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4049769-A | Separation of uranium isotopes by accelerated isotope exchange reactions | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) | 1977-09-20 | — | — | US | claimed |
| CN-111816876-A | Lithium ion battery anode material taking quantum dot @ carbon film as protective layer and preparation method thereof | 南京大学 | 2020-10-23 | — | — | CN | disclosed |
| US-4146636-A | 2,5-DIHYDROXY BENZENE SULPHONIC ACIDS FOR SCALP TREATMENT | ESTEVE SOLER JOSE | 1979-03-27 | — | — | US | disclosed |