⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1950771 | 0.74 | — | — | |
| SCHEMBL8878083 | 0.63 | — | — | |
| SCHEMBL8878087 | 0.63 | — | — | |
| SCHEMBL1963806 | 0.61 | — | — | |
| SCHEMBL10893720 | 0.59 | ALDH1A1 (0.37) | — | |
| SCHEMBL25338563 | 0.57 | ALDH1A1 (0.31) | — | |
| SCHEMBL14151912 | 0.57 | — | — | |
| SCHEMBL21439387 | 0.57 | — | — | |
| SCHEMBL15955017 | 0.57 | — | — | |
| SCHEMBL25338300 | 0.57 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0805808-A1 | PROCESS FOR THE PREPARATION OF 1-(THIOMETHYL)-CYCLOPROPANEACETIC ACID | Merck & Co., Inc. (US) | 1997-11-12 | — | — | EP | disclosed |
| WO-1996022987-A1 | PROCESS FOR THE PREPARATION OF 1-(THIOMETHYL)-CYCLOPROPANEACETIC ACID | MERCK & CO., INC. (US) | 1996-08-01 | — | — | WO | disclosed |
| US-5523477-A | REACTING 1,1-CYCLOPROPANEDIMETHANOL WITH DIALKYL SULFITE IN PRESENCE OF ACID OR BASE TO FORM CYCLIC SULFITE, REMOVING ALCOHOL REACTION BY-PRODUCT | MERCK & CO., INC. (US) | 1996-06-04 | — | — | US | disclosed |