⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12374035 | 0.79 | CDK4 (0.30) | — | |
| SCHEMBL12374074 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL12374073 | 0.76 | TAAR1 (0.31) | — | |
| SCHEMBL12374042 | 0.75 | NPSR1 (0.31) | — | |
| SCHEMBL12374046 | 0.73 | MEN1 (0.33) | — | |
| SCHEMBL12374057 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL12373863 | 0.71 | S1PR1 (0.44) | — | |
| SCHEMBL12374006 | 0.70 | LTA4H (0.38) | — | |
| SCHEMBL12374001 | 0.69 | SLC6A4 (0.38) | — | |
| SCHEMBL12374058 | 0.69 | LNPEP (0.34) | — |
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-7994204-B2 | Binding inhibitor of sphingosine-1-phosphate | TAISHO PHARMACEUTICAL CO., LTD (JP) | 2011-08-09 | — | — | US | disclosed |
| US-7994204-B2 | Binding inhibitor of sphingosine-1-phosphate | TAISHO PHARMACEUTICAL CO., LTD (JP) | 2011-08-09 | — | — | US | disclosed |
| US-20090182144-A1 | BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2009-07-16 | — | — | US | disclosed |
| US-20090182144-A1 | BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2009-07-16 | — | — | US | disclosed |