⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19765237 | 0.74 | — | — | |
| SCHEMBL11441831 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL5159056 | 0.72 | — | — | |
| SCHEMBL7712040 | 0.71 | — | — | |
| SCHEMBL155400 | 0.67 | — | — | |
| SCHEMBL6095140 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL5158572 | 0.67 | — | — | |
| SCHEMBL1880617 | 0.65 | — | — | |
| SCHEMBL5956539 | 0.65 | — | — | |
| SCHEMBL8061997 | 0.65 | — | — |
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-6500405-B1 | EVALUATING THE SENSITIVITY OF A TEST CELL POPULATION TO AN ANTITUBULIN COMPOUND COMPRISING INCUBATING CELLS OR CELL EXTRACTS WITH AN AMIDE PROBE IN THE PRESENCE AND ABSENCE OF AN ANTITUBULIN TEST COMPOUND | DOW AGROSCIENCES LLC | 2002-12-31 | — | — | US | disclosed |