⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15190555 | 0.72 | — | — | |
| SCHEMBL16569587 | 0.65 | — | — | |
| SCHEMBL1139842 | 0.63 | FFAR3 (0.35) | — | |
| SCHEMBL5113267 | 0.62 | LMNA (0.31) | — | |
| SCHEMBL18492755 | 0.62 | EPHX1 (0.34) | — | |
| SCHEMBL20479816 | 0.61 | — | — | |
| SCHEMBL18492809 | 0.61 | — | — | |
| SCHEMBL4088736 | 0.60 | ALDH1A1 (0.39) | — | |
| SCHEMBL28908958 | 0.60 | — | — | |
| SCHEMBL2891477 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9181182-B2 | S1P receptors modulators | AKAAL PHARMA PTY LTD (AU) | 2015-11-10 | — | — | US | disclosed |
| US-20120034270-A1 | S1P Receptors Modulators | AKAAL PHARMA PTY LTD (AU) | 2012-02-09 | — | — | US | disclosed |
| EP-2344446-A1 | S1P RECEPTORS MODULATORS | Akaal Pharma Pty Ltd (AU) | 2011-07-20 | — | — | EP | disclosed |
| WO-2010042998-A1 | S1P RECEPTORS MODULATORS | AKAAL PHARMA PTY LTD (AU) | 2010-04-22 | — | — | WO | disclosed |