⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19736 | 0.83 | — | — | |
| SCHEMBL27383511 | 0.79 | — | — | |
| Ammonia Solution, Strong SCHEMBL4353305 | 0.79 | — | — | |
| SCHEMBL27431123 | 0.79 | — | — | |
| SCHEMBL27733239 | 0.79 | — | — | |
| SCHEMBL27531943 | 0.79 | — | — | |
| SCHEMBL27749421 | 0.79 | — | — | |
| Magnesium Chloride Anhydrous SCHEMBL28617746 | 0.79 | — | — | |
| SCHEMBL27688844 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL9861516 | 0.75 | — | — |
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-102459246-B | Isoxazol-3 (2H) -one analogs as therapeutic agents | ASTRAZENECA AB | 2014-05-07 | — | — | CN | disclosed |
| CN-101374835-B | Substituted imidazole derivatives, compositions, and methods of use as PTPase inhibitors | TRANSTECH PHARMA INC | 2012-04-25 | — | — | CN | disclosed |
| CN-101374835-A | Substituted imidazole derivatives, compositions, and methods of use as PTPase inhibitors | TRANSTECH PHARMA INC (US) | 2009-02-25 | — | — | CN | disclosed |