⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1172124 | 1.00 | — | — | |
| Ethane SCHEMBL21987687 | 0.97 | ALDH1A1 (0.46) | — | |
| Butane SCHEMBL10940740 | 0.95 | ALDH1A1 (0.43) | — | |
| Toluene SCHEMBL11773131 | 0.82 | PIN1 (0.50) | — | |
| SCHEMBL2029534 | 0.80 | — | — | |
| SCHEMBL1171440 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL4654662 | 0.80 | ALDH1A1 (0.50) | — | |
| SCHEMBL2877330 | 0.79 | ALDH1A1 (0.43) | — | |
| SCHEMBL2134188 | 0.79 | ALDH1A1 (0.43) | — | |
| SCHEMBL1532549 | 0.79 | SOAT1 (0.46) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7241784-B2 | Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-07-10 | — | — | US | disclosed |
| US-20040087636-A1 | Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient | ONO PHARMACEUTICAL CO., LTD. | 2004-05-06 | — | — | US | disclosed |
| US-6664281-B1 | Oxazol-4-yl-alkoxy- or alkthioxy- functionality; peroxisome proliferator activated receptor regulators | ONO PHARMACEUTICAL CO., LTD. (JP) | 2003-12-16 | — | — | US | disclosed |
| EP-1108713-A1 | CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD. (JP) | 2001-06-20 | — | — | EP | disclosed |