⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2872122 | 0.74 | S1PR1 (0.44) | — | |
| SCHEMBL566500 | 0.62 | S1PR1 (0.35) | — | |
| SCHEMBL566429 | 0.60 | S1PR1 (0.60) | — | |
| Hydrochloric Acid SCHEMBL567052 | 0.60 | S1PR1 (0.59) | — | |
| SCHEMBL10139272 | 0.56 | S1PR1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL566087 | 0.55 | S1PR1 (0.39) | — | |
| SCHEMBL566419 | 0.55 | RARB (0.51) | — | |
| Hydrochloric Acid SCHEMBL566817 | 0.54 | RARB (0.50) | — | |
| SCHEMBL10171069 | 0.53 | S1PR1 (0.57) | — | |
| SCHEMBL565429 | 0.53 | CNR2 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2344446-A1 | S1P RECEPTORS MODULATORS | Akaal Pharma Pty Ltd (AU) | 2011-07-20 | — | — | EP | claimed |