⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL410527 | 1.00 | — | — | |
| SCHEMBL9197173 | 0.76 | TSHR (0.30) | — | |
| SCHEMBL9197176 | 0.76 | TSHR (0.30) | — | |
| SCHEMBL209706 | 0.72 | PTGS1 (0.34) | — | |
| SCHEMBL322715 | 0.72 | PTGS1 (0.34) | — | |
| SCHEMBL5892080 | 0.71 | — | — | |
| Bicarbonate SCHEMBL21051132 | 0.69 | — | — | |
| SCHEMBL9812418 | 0.67 | — | — | |
| SCHEMBL9812406 | 0.67 | — | — | |
| SCHEMBL247033 | 0.67 | — | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2560969-B1 | 4-(5-ISOXAZOLYL OR 5-PYRRAZOLYL-1,2,4-OXADIAZOL-3-YL)-MANDELIC ACID AMIDES AS SPHINGOSIN-1-PHOSPHATE 1 RECEPTOR AGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2015-08-12 | — | — | EP | disclosed |
| EP-2462139-B1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2015-01-14 | — | — | EP | disclosed |
| EP-2635573-B1 | HETEROCYCLIC COMPOUNDS AS S1P1 AGONISTS FOR THE TREATMENT OF AUTOIMMUNE AND VASCULAR DISEASES | BRISTOL MYERS SQUIBB CO (US) | 2014-10-01 | — | — | EP | disclosed |
| US-8835470-B2 | Mandelamide heterocyclic compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-09-16 | — | — | US | disclosed |
| US-8629282-B2 | Heterocyclic compounds as S1P1 agonists for the treatment of autoimmune and vascular diseases | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-01-14 | — | — | US | disclosed |
| US-20130237566-A1 | HETEROCYCLIC COMPOUNDS AS S1P1 AGONISTS FOR THE TREATMENT OF AUTOIMMUNE AND VASCULAR DISEASES | BRISTOL=MYERS SQUIBB COMPANY | 2013-09-12 | — | — | US | disclosed |
| EP-2635573-A1 | HETEROCYCLIC COMPOUNDS AS S1P1 AGONISTS FOR THE TREATMENT OF AUTOIMMUNE AND VASCULAR DISEASES | Bristol-Myers Squibb Company (US) | 2013-09-11 | — | — | EP | disclosed |
| US-8404672-B2 | Substituted heterocyclic compounds | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2013-03-26 | — | — | US | disclosed |
| US-8399451-B2 | Heterocyclic compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-03-19 | — | — | US | disclosed |
| EP-2560969-A1 | 4 - (5 - ISOXAZOLYL OR 5 - PYRRAZOLYL -1,2,4- OXADIAZOL - 3 - YL) -MANDELIC ACID AMIDES AS SPHINGOSIN- 1 - PHOSPHATE 1 RRECEPTOR AGONISTS | Bristol-Myers Squibb Company (US) | 2013-02-27 | — | — | EP | disclosed |
| US-20120022041-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-01-26 | — | — | US | disclosed |
| US-20110300165-A1 | SUBSTITUTED ISOXAZOLE COMPOUNDS | The Board of TRustees of the University of Illinoi University of Illinios (US) | 2011-12-08 | — | — | US | disclosed |
| EP-2389377-A1 | SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES | Bristol-Myers Squibb Company (US) | 2011-11-30 | — | — | EP | disclosed |
| EP-2382212-A1 | SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES | Bristol-Myers Squibb Company (US) | 2011-11-02 | — | — | EP | disclosed |
| WO-2011133734-A1 | 4 - (5 - ISOXAZOLYL OR 5 - PYRRAZOLYL -1,2,4- OXADIAZOL - 3 - YL) -MANDELIC ACID AMIDES AS SPHINGOSIN- 1 - PHOSPHATE 1 RRECEPTOR AGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-10-27 | — | — | WO | disclosed |
| US-8038731-B2 | hair dyes contains naphthylimide thiol or disulphide groups; resistant and visible lightening effect on dark keratin fibres; cosmetics | L'OREAL S.A. (FR) | 2011-10-18 | — | — | US | disclosed |
| US-20110190255-A1 | HETEROCYCLIC COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY | 2011-08-04 | — | — | US | disclosed |
| WO-2011017578-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-02-10 | — | — | WO | disclosed |
| WO-2010085581-A1 | SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-07-29 | — | — | WO | disclosed |
| WO-2010085582-A1 | SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-07-29 | — | — | WO | disclosed |