⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14064541 | 1.00 | — | — | |
| SCHEMBL14627155 | 1.00 | — | — | |
| SCHEMBL14072280 | 1.00 | — | — | |
| SCHEMBL3465825 | 0.81 | UGT2B7 (0.34) | — | |
| SCHEMBL11961355 | 0.79 | CA2 (0.32) | — | |
| SCHEMBL13469485 | 0.79 | GBA1 (0.32) | — | |
| SCHEMBL16371103 | 0.79 | CA2 (0.32) | — | |
| SCHEMBL4248034 | 0.79 | CA2 (0.32) | — | |
| SCHEMBL10074008 | 0.79 | GBA1 (0.32) | — | |
| SCHEMBL4248027 | 0.79 | CA2 (0.32) | — |
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-7429616-B2 | Synthesis and complete stereochemical assignment of psymberin/irciniastatin for use as antitumor compounds | BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) | 2008-09-30 | — | — | US | disclosed |