⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1370688 | 1.00 | — | — | |
| SCHEMBL4701947 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL5567748 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL5567961 | 0.97 | — | — | |
| SCHEMBL3924681 | 0.76 | — | — | |
| SCHEMBL14105508 | 0.76 | — | — | |
| SCHEMBL686982 | 0.75 | DPP4 (0.33) | — | |
| SCHEMBL3316621 | 0.73 | — | — | |
| SCHEMBL11323493 | 0.73 | — | — | |
| SCHEMBL340 | 0.72 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103119038-B | As 4-(5-isoxazolyl or 5-pyrazolyl-1,2, the 4-oxadiazolyl-3-yl) mandelic acidamide of S1P 1 receptor stimulating agent | BRISTOL-MYERS SQUIBB CO. (US) | 2016-05-04 | — | — | CN | disclosed |
| 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-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 |
| US-8835470-B2 | Mandelamide heterocyclic compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-09-16 | — | — | US | disclosed |
| US-8835470-B2 | Mandelamide heterocyclic compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-09-16 | — | — | US | disclosed |
| CN-103119038-A | 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 CO | 2013-05-22 | — | — | CN | 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-20130045964-A1 | MANDELAMIDE HETEROCYCLIC COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY | 2013-02-21 | — | — | US | 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-7183443-B2 | Process for the preparation of enantiomerically enriched compounds | DSM IP ASSETS B.V. (NL) | 2007-02-27 | — | — | US | disclosed |
| EP-1562894-B1 | PROCESS FOR THE RACEMISATION OF ENANTIOMERICALLY ENRICHED ALPHA-AMINO NITRILES | DSM IP ASSETS BV (NL) | 2007-01-24 | — | — | EP | disclosed |
| US-20060142610-A1 | Process for the racemisation of enantiomerically enriched alpha-amino nitriles | DSM IP ASSETS B.V. (NL) | 2006-06-29 | — | — | US | disclosed |
| CN-1729163-A | The racemization method of the alpha-aminonitriles of enantiomorph enrichment | DSM IP ASSETS BV (NL) | 2006-02-01 | — | — | CN | disclosed |
| US-20050215822-A1 | Process for the preparation of enantiomerically enriched compounds | DSM IP ASSETS B.V. (NL) | 2005-09-29 | — | — | US | disclosed |
| EP-1562894-A1 | PROCESS FOR THE RACEMISATION OF ENANTIOMERICALLY ENRICHED ALPHA-AMINO NITRILES | DSM IP Assets B.V. (NL) | 2005-08-17 | — | — | EP | disclosed |
| WO-2004046088-A1 | PROCESS FOR THE RACEMISATION OF ENANTIOMERICALLY ENRICHED ALPHA-AMINO NITRILES | DSM IP ASSETS B.V. (NL) | 2004-06-03 | — | — | WO | disclosed |