⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9493363 | 0.74 | — | — | |
| SCHEMBL11570052 | 0.74 | — | — | |
| SCHEMBL3398125 | 0.74 | — | — | |
| SCHEMBL16684912 | 0.74 | — | — | |
| SCHEMBL7752317 | 0.72 | — | — | |
| SCHEMBL5280484 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL3407512 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL11522914 | 0.71 | — | — | |
| SCHEMBL11592499 | 0.69 | — | — | |
| SCHEMBL11594030 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013026942-A1 | TUBULIN BINDING AGENTS | THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) | 2013-02-28 | — | — | WO | disclosed |