⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL472256 | 0.76 | — | — | |
| SCHEMBL11912231 | 0.73 | — | — | |
| SCHEMBL5007817 | 0.71 | — | — | |
| SCHEMBL5075375 | 0.65 | — | — | |
| SCHEMBL7537464 | 0.63 | — | — | |
| SCHEMBL3672271 | 0.61 | — | — | |
| SCHEMBL16992922 | 0.61 | — | — | |
| SCHEMBL7111141 | 0.59 | — | — | |
| SCHEMBL17289490 | 0.59 | — | — | |
| SCHEMBL3165878 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106002572-A | Engineering equipment for removing rust on surface of construction steel structure and working method of engineering equipment | 徐州工程学院 | 2016-10-12 | — | — | CN | claimed |
| CN-106002572-A | Engineering equipment for removing rust on surface of construction steel structure and working method of engineering equipment | 徐州工程学院 | 2016-10-12 | — | — | CN | disclosed |
| US-5654483-A | REACTING ALKOXY-SUBSTITUTED CYCLOHEXANONE WITH DIPHENYLAMINE WHILE FORMING CYCLOHEXANONE FROM ALKOXY-SUBSTITUTED PHENOL IN PRESENCE OF SURFACE-SUPPORTED HYDROGEN TRANSFER CATALYST | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-08-05 | — | — | US | disclosed |