⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2034414 | 0.80 | — | — | |
| SCHEMBL11918698 | 0.78 | — | — | |
| SCHEMBL2227801 | 0.78 | — | — | |
| SCHEMBL10158351 | 0.78 | — | — | |
| SCHEMBL3608418 | 0.78 | — | — | |
| SCHEMBL13992734 | 0.78 | — | — | |
| SCHEMBL29152239 | 0.78 | — | — | |
| SCHEMBL576482 | 0.78 | — | — | |
| SCHEMBL20715353 | 0.78 | — | — | |
| SCHEMBL3280517 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011072791-A1 | SPHINGOSINE KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2011-06-23 | — | — | WO | disclosed |