⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29990577 | 0.77 | — | — | |
| SCHEMBL2555267 | 0.77 | — | — | |
| SCHEMBL8787170 | 0.75 | — | — | |
| SCHEMBL5002178 | 0.75 | — | — | |
| SCHEMBL30487348 | 0.75 | — | — | |
| SCHEMBL11340444 | 0.74 | CYP1A2 (0.48) | — | |
| Hydrochloric Acid SCHEMBL4826505 | 0.72 | CYP1A2 (0.46) | — | |
| SCHEMBL24667785 | 0.70 | HDAC1 (0.34) | — | |
| SCHEMBL1132780 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL14160593 | 0.70 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7572930-B2 | Process for preparing 1-(mercaptomethyl)cyclopropaneacetic acid, a useful intermediate in the preparation of montelukast and salts thereof | CHEMAGIS LTD. (IL) | 2009-08-11 | — | — | US | disclosed |
| US-20070208177-A1 | Novel process for preparing 1-(mercaptomethyl)cyclopropaneacetic acid, a useful intermediate in the preparation of montelukast and salts thereof | CHEMAGIS LTD. (IL) | 2007-09-06 | — | — | US | disclosed |
| US-20070208177-A1 | Novel process for preparing 1-(mercaptomethyl)cyclopropaneacetic acid, a useful intermediate in the preparation of montelukast and salts thereof | CHEMAGIS LTD. (IL) | 2007-09-06 | — | — | US | disclosed |
| WO-2007088545-A2 | NOVEL PROCESS FOR PREPARING 1-(MERCAPTOMETHYL) CYCLOPROPANEACETIC ACID, A USEFUL INTERMEDIATE IN THE PREPARATION OF MONTELUKAST AND SALTS THEREOF | CHEMAGIS LTD. (IL) | 2007-08-09 | — | — | WO | disclosed |
| CN-1318400-C | Process for the preparation of 1-(mercaptomethyl)-cyclopropaneacetic acid | DELMAR CHEMICALS INC (CA) | 2007-05-30 | — | — | CN | disclosed |
| EP-1474386-B1 | PROCESS FOR THE PREPARATION OF 1-(MERCAPTOMETHYL)-CYCLOPROPANEACETIC ACID | DELMAR CHEMICALS INC (CA) | 2006-12-27 | — | — | EP | disclosed |
| CN-1628096-A | Process for the preparation of 1-(mercaptomethyl)-cyclopropaneacetic acid | DELMAR CHEMICALS INC (CA) | 2005-06-15 | — | — | CN | disclosed |
| EP-1474386-A1 | PROCESS FOR THE PREPARATION OF 1-(MERCAPTOMETHYL)-CYCLOPROPANEACETIC ACID | Delmar Chemicals Inc. (CA) | 2004-11-10 | — | — | EP | disclosed |
| WO-2003066582-A1 | PROCESS FOR THE PREPARATION OF 1-(MERCAPTOMETHYL)-CYCLOPROPANEACETIC ACID | DELMAR CHEMICALS INC. (CA) | 2003-08-14 | — | — | WO | disclosed |
| US-6512140-B1 | Cyclization, iminoesterification, hydrolysis, in situ oxidation, sulfiding, cleavage, and purification | DELMAR CHEMICALS INC. (CA) | 2003-01-28 | — | — | US | disclosed |