⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2835275 | 0.92 | PPARG (0.31) | — | |
| SCHEMBL2835282 | 0.84 | ACKR3 (0.31) | — | |
| SCHEMBL2835279 | 0.78 | — | — | |
| SCHEMBL177247 | 0.77 | — | — | |
| SCHEMBL177055 | 0.73 | S1PR1 (0.38) | — | |
| SCHEMBL177064 | 0.72 | S1PR1 (0.38) | — | |
| SCHEMBL177299 | 0.69 | FFAR1 (0.39) | — | |
| SCHEMBL12038128 | 0.66 | LMNA (0.38) | — | |
| Hydrochloric Acid SCHEMBL177474 | 0.65 | LMNA (0.40) | — | |
| SCHEMBL177244 | 0.62 | ACKR3 (0.44) | — |
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-2344484-A1 | S1P RECEPTORS MODULATORS AND THEIR USE THEREOF | Akaal Pharma Pty Ltd (AU) | 2011-07-20 | — | — | EP | claimed |