⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1262419 | 0.80 | — | — | |
| SCHEMBL4864183 | 0.58 | — | — | |
| SCHEMBL13567194 | 0.58 | — | — | |
| SCHEMBL11049261 | 0.56 | — | — | |
| SCHEMBL14496280 | 0.52 | — | — | |
| SCHEMBL4271079 | 0.51 | — | — | |
| Methylsulfanylmethane SCHEMBL19920876 | 0.48 | — | — | |
| SCHEMBL28495230 | 0.48 | — | — | |
| SCHEMBL2556305 | 0.47 | — | — | |
| SCHEMBL674448 | 0.47 | — | — |
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-7667052-B2 | Bioactive substance | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-02-23 | — | — | US | disclosed |
| US-20090227795-A1 | TARGET MOLECULES OF PLADIENOLIDES, COMPOUNDS BINDING TO SUCH TARGET MOLECULES, AND SCREENING METHOD THEREOF | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2009-09-10 | — | — | US | disclosed |