⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL594047 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL2909642 | 0.72 | — | — | |
| Methyl Alcohol SCHEMBL28234517 | 0.69 | — | — | |
| SCHEMBL3841991 | 0.67 | — | — | |
| SCHEMBL9227345 | 0.65 | — | — | |
| SCHEMBL7183849 | 0.65 | — | — | |
| SCHEMBL13369293 | 0.64 | — | — | |
| SCHEMBL19837712 | 0.64 | — | — | |
| SCHEMBL20597784 | 0.63 | — | — | |
| SCHEMBL16166684 | 0.63 | ALDH1A1 (0.31) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1575964-B1 | N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS | MERCK & CO INC (US) | 2009-11-11 | — | — | EP | disclosed |
| US-7351725-B2 | N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists | MERCK & CO., INC. (US) | 2008-04-01 | — | — | US | disclosed |
| EP-1575964-A4 | N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS | MERCK & CO INC (US) | 2007-04-04 | — | — | EP | disclosed |
| EP-1575964-A2 | N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2005-09-21 | — | — | EP | disclosed |
| US-20050070506-A1 | Selective s1p1/edg1 receptor agonists | DOHERTY GEORGE A (US) | 2005-03-31 | — | — | US | disclosed |
| US-20050020837-A1 | N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as edg receptor agonists | MERCK SHARP & DOHME CORP. | 2005-01-27 | — | — | US | disclosed |
| EP-1469863-A2 | SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2004-10-27 | — | — | EP | disclosed |
| US-20040058894-A1 | Selective S1P1/Edg1 receptor agonists | DOHERTY GEORGE A (US) | 2004-03-25 | — | — | US | disclosed |
| WO-2003061567-A2 | SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2003-07-31 | — | — | WO | disclosed |
| WO-2003062248-A2 | N-(BENZYL)AMINOALKYLCARBOXYLATES, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2003-07-31 | — | — | WO | disclosed |
| US-5508270-A | Nucleoside phosphinate compounds and compositions | CIBA-GEIGY CORPORATION (US) | 1996-04-16 | — | — | US | disclosed |
| US-5414133-A | Protected phosphine oxides | CIBA-GEIGY CORPORATION (US) | 1995-05-09 | — | — | US | disclosed |
| EP-0614906-A1 | Mononucleotide analogues and intermediates therefor | CIBA-GEIGY AG (CH) | 1994-09-14 | — | — | EP | disclosed |
| US-5298663-A | Process for the preparation of protected phosphine oxides | CIBA-GEIGY CORPORATION (US) | 1994-03-29 | — | — | US | disclosed |
| EP-0501702-A2 | Process for the preparation of protected phosphine oxides | CIBA-GEIGY AG (CH) | 1992-09-02 | — | — | EP | disclosed |