⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1614229 | 0.85 | — | — | |
| Ammonia Solution, Strong SCHEMBL1614717 | 0.84 | — | — | |
| SCHEMBL1614495 | 0.80 | — | — | |
| SCHEMBL13906562 | 0.65 | EPHX1 (0.36) | — | |
| SCHEMBL1613607 | 0.64 | — | — | |
| SCHEMBL13906564 | 0.64 | — | — | |
| SCHEMBL12714094 | 0.64 | PTGES2 (0.31) | — | |
| SCHEMBL1614120 | 0.63 | — | — | |
| Ammonia Solution, Strong SCHEMBL1614980 | 0.63 | — | — | |
| SCHEMBL3733284 | 0.62 | KMT2A (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |