⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2718937 | 1.00 | KMT2A (0.41) | — | |
| SCHEMBL29165199 | 0.87 | KMT2A (0.34) | — | |
| SCHEMBL4453508 | 0.86 | CES2 (0.50) | — | |
| SCHEMBL3981937 | 0.82 | PIK3CD (0.32) | — | |
| SCHEMBL3979914 | 0.82 | GABRA5 (0.52) | — | |
| SCHEMBL3981214 | 0.78 | ALDH1A1 (0.37) | — | |
| SCHEMBL10683868 | 0.77 | KMT2A (0.33) | — | |
| SCHEMBL28735265 | 0.77 | — | — | |
| SCHEMBL527048 | 0.75 | — | — | |
| SCHEMBL509262 | 0.73 | KMT2A (0.39) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8791102-B2 | Acetanilide sphingosine-1-phosphate receptor antagonists | EXELIXIS, INC. (US) | 2014-07-29 | — | — | US | claimed |
| US-20110288076-A1 | Sphingosine-1-Phosphate Receptor Antagonists | EXELIXIS, INC. (US) | 2011-11-24 | — | — | US | claimed |
| EP-2346821-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | Exelixis, Inc. (US) | 2011-07-27 | — | — | EP | claimed |
| WO-2010045580-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | claimed |
| US-8791102-B2 | Acetanilide sphingosine-1-phosphate receptor antagonists | EXELIXIS, INC. (US) | 2014-07-29 | — | — | US | disclosed |
| US-20110288076-A1 | Sphingosine-1-Phosphate Receptor Antagonists | EXELIXIS, INC. (US) | 2011-11-24 | — | — | US | disclosed |
| EP-2346821-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | Exelixis, Inc. (US) | 2011-07-27 | — | — | EP | disclosed |
| WO-2010045580-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |
| EP-2137187-A1 | PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE | Inovacia AB (SE) | 2009-12-30 | — | — | EP | disclosed |
| US-20080255153-A1 | New compounds | BIOVITRUM AB (PUBL) (SE) | 2008-10-16 | — | — | US | disclosed |
| WO-2008116898-A1 | PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE | BIOVITRUM AB (PUBL) (SE) | 2008-10-02 | — | — | WO | disclosed |