⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9114134 | 0.86 | CETP (0.33) | — | |
| SCHEMBL9110700 | 0.83 | MAPT (0.32) | — | |
| SCHEMBL9111016 | 0.81 | S1PR1 (0.43) | — | |
| SCHEMBL9909339 | 0.81 | PTPN2 (0.32) | — | |
| SCHEMBL15258953 | 0.80 | S1PR1 (0.41) | — | |
| SCHEMBL15695420 | 0.75 | CETP (0.33) | — | |
| SCHEMBL9111496 | 0.74 | S1PR1 (0.45) | — | |
| SCHEMBL9109879 | 0.71 | S1PR1 (0.38) | — | |
| SCHEMBL9112164 | 0.70 | CTSB (0.32) | — | |
| SCHEMBL9112568 | 0.69 | NPC1 (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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2646405-A1 | ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS | Allergan, Inc. (US) | 2013-10-09 | — | — | EP | disclosed |
| US-8541397-B2 | Alkyne and alkene derivatives as sphingosine 1-phosphate-1 receptor modulators | ALLERGAN, INC. (US) | 2013-09-24 | — | — | US | disclosed |
| US-8541397-B2 | Alkyne and alkene derivatives as sphingosine 1-phosphate-1 receptor modulators | ALLERGAN, INC. (US) | 2013-09-24 | — | — | US | disclosed |
| US-8541397-B2 | Alkyne and alkene derivatives as sphingosine 1-phosphate-1 receptor modulators | ALLERGAN, INC. (US) | 2013-09-24 | — | — | US | disclosed |
| US-20130150331-A1 | ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2013-06-13 | — | — | US | disclosed |
| US-20130150331-A1 | ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2013-06-13 | — | — | US | disclosed |
| US-20130150331-A1 | ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2013-06-13 | — | — | US | disclosed |
| US-8404663-B2 | Alkyne and alkene derivatives as sphingosine 1-phosphate-1 receptor modulators | ALLERGAN, INC. (US) | 2013-03-26 | — | — | US | disclosed |
| US-8404663-B2 | Alkyne and alkene derivatives as sphingosine 1-phosphate-1 receptor modulators | ALLERGAN, INC. (US) | 2013-03-26 | — | — | US | disclosed |
| US-8404663-B2 | Alkyne and alkene derivatives as sphingosine 1-phosphate-1 receptor modulators | ALLERGAN, INC. (US) | 2013-03-26 | — | — | US | disclosed |
| US-20120142640-A1 | ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2012-06-07 | — | — | US | disclosed |
| US-20120142640-A1 | ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2012-06-07 | — | — | US | disclosed |
| WO-2012074921-A1 | ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2012-06-07 | — | — | WO | disclosed |