⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5713386 | 0.82 | LMNA (0.33) | — | |
| SCHEMBL5541826 | 0.79 | — | — | |
| SCHEMBL544926 | 0.78 | — | — | |
| SCHEMBL29709064 | 0.78 | — | — | |
| SCHEMBL9113155 | 0.78 | — | — | |
| SCHEMBL27533054 | 0.78 | — | — | |
| SCHEMBL29709049 | 0.78 | — | — | |
| SCHEMBL3294360 | 0.78 | — | — | |
| SCHEMBL17185571 | 0.78 | — | — | |
| SCHEMBL5382 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210238187-A1 | AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES | WILLIAM MARSH RICE UNIVERSITY (US) | 2021-08-05 | — | — | US | disclosed |
| EP-3609538-A1 | AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES | William Marsh Rice University (US) | 2020-02-19 | — | — | EP | disclosed |
| WO-2018191394-A1 | AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES | WILLIAM MARSH RICE UNIVERSITY (US) | 2018-10-18 | — | — | WO | disclosed |