⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20746548 | 0.90 | THRA (0.31) | — | |
| SCHEMBL27514606 | 0.76 | — | — | |
| SCHEMBL14895697 | 0.72 | — | — | |
| SCHEMBL3695405 | 0.70 | — | — | |
| SCHEMBL29566118 | 0.70 | — | — | |
| SCHEMBL5530934 | 0.69 | — | — | |
| SCHEMBL22991173 | 0.68 | — | — | |
| SCHEMBL7174252 | 0.68 | — | — | |
| SCHEMBL9674837 | 0.67 | — | — | |
| SCHEMBL15189343 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210230178-A1 | TRIOXACARCIN ANALOGS AND DIMERS AS POTENT ANTICANCER AGENTS | WILLIAM MARSH RICE UNIVERSITY (US) | 2021-07-29 | — | — | US | disclosed |
| US-20210230178-A1 | TRIOXACARCIN ANALOGS AND DIMERS AS POTENT ANTICANCER AGENTS | WILLIAM MARSH RICE UNIVERSITY (US) | 2021-07-29 | — | — | US | disclosed |
| WO-2019157561-A1 | CONVERSION OF LIGNOCELLULOSE TO CHEMICALS IN A MULTIPHASE REACTOR | MONASH UNIVERSITY (AU) | 2019-08-22 | — | — | WO | disclosed |
| WO-2019036537-A1 | TRIOXACARCIN ANALOGS AND DIMERS AS POTENT ANTICANCER AGENTS | WILLIAM MARSH RICE UNIVERSITY (US) | 2019-02-21 | — | — | WO | disclosed |
| WO-2019036537-A1 | TRIOXACARCIN ANALOGS AND DIMERS AS POTENT ANTICANCER AGENTS | WILLIAM MARSH RICE UNIVERSITY (US) | 2019-02-21 | — | — | WO | disclosed |