⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9493361 | 0.75 | — | — | |
| SCHEMBL10076564 | 0.75 | — | — | |
| SCHEMBL5280479 | 0.73 | — | — | |
| SCHEMBL31412624 | 0.71 | — | — | |
| SCHEMBL226972 | 0.71 | — | — | |
| SCHEMBL11593328 | 0.71 | — | — | |
| SCHEMBL11594027 | 0.71 | CA1 (0.33) | — | |
| SCHEMBL27765168 | 0.70 | — | — | |
| SCHEMBL28561922 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL3407509 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3836910-A1 | BENZOSUBERENE ANALOGUES AND RELATED COMPOUNDS WITH ACTIVITY AS ANTICANCER AGENTS | Baylor University (US) | 2021-06-23 | — | — | EP | disclosed |
| WO-2020037209-A1 | BENZOSUBERENE ANALOGUES AND RELATED COMPOUNDS WITH ACTIVITY AS ANTICANCER AGENTS | BAYLOR UNIVERSITY (US) | 2020-02-20 | — | — | WO | disclosed |
| 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 |