⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL385654 | 0.79 | RAB9A (0.35) | — | |
| SCHEMBL386388 | 0.75 | IRAK4 (0.30) | — | |
| SCHEMBL386428 | 0.70 | IRAK4 (0.31) | — | |
| SCHEMBL385579 | 0.70 | S1PR1 (0.30) | — | |
| SCHEMBL7615636 | 0.69 | S1PR1 (0.42) | — | |
| SCHEMBL5166746 | 0.69 | TAAR1 (0.39) | — | |
| SCHEMBL384900 | 0.68 | FPR2 (0.39) | — | |
| SCHEMBL4462359 | 0.67 | S1PR1 (0.33) | — | |
| SCHEMBL5165290 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL5165572 | 0.67 | TAAR1 (0.37) | — |
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-1471054-B1 | AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE | DAIICHI SANKYO CO LTD (JP) | 2009-07-01 | — | — | EP | disclosed |