⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25091691 | 1.00 | — | — | |
| SCHEMBL21226860 | 0.84 | CA2 (0.39) | — | |
| SCHEMBL19846890 | 0.82 | SIGMAR1 (0.39) | — | |
| SCHEMBL11230102 | 0.80 | SPHK1 (0.43) | — | |
| SCHEMBL11774747 | 0.78 | SPHK1 (0.34) | — | |
| SCHEMBL25092057 | 0.77 | SIGMAR1 (0.31) | — | |
| SCHEMBL23838528 | 0.77 | — | — | |
| SCHEMBL170783 | 0.77 | — | — | |
| SCHEMBL24092144 | 0.77 | — | — | |
| SCHEMBL20320861 | 0.77 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3082819-B1 | SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARM LLC (US) | 2020-06-17 | — | — | EP | disclosed |
| US-9193716-B2 | S1P receptors modulators and their use thereof | AKAAL PHARMA PTY LTD. (AU) | 2015-11-24 | — | — | US | disclosed |
| US-9181182-B2 | S1P receptors modulators | AKAAL PHARMA PTY LTD (AU) | 2015-11-10 | — | — | US | disclosed |
| US-20140066427-A1 | S1P Receptors Modulators and Their Use Thereof | AKAAL PHARMA PTY LTD. (AU) | 2014-03-06 | — | — | US | disclosed |