⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13778611 | 0.85 | SLC6A3 (0.32) | — | |
| SCHEMBL20536461 | 0.84 | HDAC1 (0.32) | — | |
| SCHEMBL23714097 | 0.84 | L3MBTL1 (0.32) | — | |
| SCHEMBL3865309 | 0.84 | ALDH1A1 (0.37) | — | |
| SCHEMBL219881 | 0.80 | RAB9A (0.31) | — | |
| SCHEMBL23192791 | 0.78 | NOS1 (0.35) | — | |
| SCHEMBL3196805 | 0.78 | CA2 (0.32) | — | |
| SCHEMBL20535750 | 0.78 | PGK1 (0.36) | — | |
| SCHEMBL18758373 | 0.76 | BCHE (0.33) | — | |
| SCHEMBL12910723 | 0.76 | CA2 (0.31) | — |
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 4 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 |
| WO-2017066606-A1 | EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES THEREOF | WILLIAM MARSH RICE UNIVERSITY (US) | 2017-04-20 | — | — | WO | disclosed |