⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24804192 | 1.00 | — | — | |
| SCHEMBL22839609 | 0.74 | — | — | |
| SCHEMBL19509996 | 0.72 | — | — | |
| SCHEMBL9509932 | 0.72 | — | — | |
| SCHEMBL9509929 | 0.72 | — | — | |
| SCHEMBL13332808 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL4160990 | 0.69 | — | — | |
| SCHEMBL2048243 | 0.69 | — | — | |
| SCHEMBL193033 | 0.69 | — | — | |
| SCHEMBL853609 | 0.67 | PTGS1 (0.41) | — |
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-9193716-B2 | S1P receptors modulators and their use thereof | AKAAL PHARMA PTY LTD. (AU) | 2015-11-24 | — | — | US | disclosed |
| US-20140066427-A1 | S1P Receptors Modulators and Their Use Thereof | AKAAL PHARMA PTY LTD. (AU) | 2014-03-06 | — | — | US | disclosed |