⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19166979 | 0.83 | — | — | |
| SCHEMBL12377093 | 0.67 | — | — | |
| SCHEMBL11215044 | 0.65 | — | — | |
| SCHEMBL23733955 | 0.64 | TSHR (0.33) | — | |
| SCHEMBL19175978 | 0.60 | — | — | |
| SCHEMBL11728540 | 0.58 | MEN1 (0.33) | — | |
| SCHEMBL11611620 | 0.58 | MEN1 (0.33) | — | |
| SCHEMBL18751218 | 0.58 | — | — | |
| SCHEMBL8823245 | 0.57 | — | — | |
| SCHEMBL23733967 | 0.55 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3261443-B1 | DESACETOXYTUBULYSIN H AND ANALOGS THEREOF | UNIV RICE WILLIAM M (US) | 2021-04-28 | — | — | EP | disclosed |
| US-20190023717-A1 | TOTAL SYNTHESIS OF TRIOXACARCIN DC-45-A2 AND PREPARATION OF TRIOXACARCIN ANALOGS | WILLIAM MARSH RICE UNIVERSITY (US) | 2019-01-24 | — | — | US | disclosed |
| US-20180127463-A1 | DESACETOXYTUBULYSIN H AND ANALOGS THEREOF | WILLIAM MARSH RICE UNIVERSITY (US) | 2018-05-10 | — | — | US | disclosed |
| US-20170210699-A1 | PREPARATION AND BIOLOGICAL EVALUATION OF VIRIDICATUMTOXIN ANALOGS | WILLIAM MARSH RICE UNIVERSITY (US) | 2017-07-27 | — | — | US | disclosed |
| WO-2016138288-A1 | DESACETOXYTUBULYSIN H AND ANALOGS THEREOF | WILLIAM MARSH RICE UNIVERSITY (US) | 2016-09-01 | — | — | WO | disclosed |
| WO-2016100833-A2 | TOTAL SYNTHESIS OF TRIOXACARCIN DC-45-A2 AND PREPARATION OF TRIOXACARCIN ANALOGS | WILLIAM MARSH RICE UNIVERSITY (US) | 2016-06-23 | — | — | WO | disclosed |
| WO-2016014643-A1 | PREPARATION AND BIOLOGICAL EVALUATION OF VIRIDICATUMTOXIN ANALOGS | WILLIAM MARSH RICE UNIVERSITY (US) | 2016-01-28 | — | — | WO | disclosed |