⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1613607 | 0.98 | — | — | |
| SCHEMBL12714094 | 0.79 | PTGES2 (0.31) | — | |
| SCHEMBL6289261 | 0.75 | PRSS1 (0.31) | — | |
| SCHEMBL12658144 | 0.74 | — | — | |
| SCHEMBL20776527 | 0.74 | SLC6A2 (0.37) | — | |
| SCHEMBL25737405 | 0.74 | CYP2A6 (0.32) | — | |
| SCHEMBL20776217 | 0.74 | SLC6A2 (0.37) | — | |
| SCHEMBL12525059 | 0.72 | CYP2A6 (0.32) | — | |
| Hydrochloric Acid SCHEMBL13275081 | 0.71 | CYP2A6 (0.31) | — | |
| SCHEMBL11382499 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8309599-B2 | Synthesis of FR901464 and analogs with antitumor activity | UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2012-11-13 | — | — | US | disclosed |
| US-20110086909-A1 | SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY | UNIVERSITY OF PITTSBURGH-- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION | 2011-04-14 | — | — | US | disclosed |