⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1799780 | 0.83 | DGKA (0.39) | — | |
| SCHEMBL10704254 | 0.79 | — | — | |
| SCHEMBL10581883 | 0.78 | ADRA2A (0.50) | — | |
| SCHEMBL4262294 | 0.78 | MGAM (0.46) | — | |
| SCHEMBL106360 | 0.78 | — | — | |
| SCHEMBL8979257 | 0.78 | — | — | |
| SCHEMBL7600473 | 0.76 | — | — | |
| SCHEMBL5351821 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL1728561 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL27862013 | 0.76 | MGAM (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7700560-B2 | Inactivators and bivalent inhibitors of glyoxalase I and methods of inhibiting tumor growth | UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) | 2010-04-20 | — | — | US | disclosed |
| EP-0468626-A2 | Cotton bales and method of producing same | Takemoto Yushi Kabushiki Kaisha (JP) | 1992-01-29 | — | — | EP | disclosed |
| US-4826832-A | BACTERICIDES | CIBA-GEIGY CORPORATION (US) | 1989-05-02 | — | — | US | disclosed |