⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL517259 | 0.79 | GABRR1 (0.36) | — | |
| SCHEMBL1844272 | 0.79 | MME (0.33) | — | |
| SCHEMBL23501349 | 0.74 | CETP (0.38) | — | |
| SCHEMBL16457627 | 0.74 | ITGB1 (0.30) | — | |
| SCHEMBL8737252 | 0.72 | CETP (0.39) | — | |
| SCHEMBL1135072 | 0.71 | MME (0.42) | — | |
| SCHEMBL6180098 | 0.69 | FFAR4 (0.36) | — | |
| SCHEMBL14899030 | 0.65 | MME (0.37) | — | |
| SCHEMBL18797517 | 0.64 | CYP2C19 (0.37) | — | |
| SCHEMBL1172295 | 0.64 | MME (0.36) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2406215-B1 | OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF | BAYER IP GMBH (DE) | 2014-04-16 | — | — | EP | disclosed |
| US-8642592-B2 | Oxo-heterocyclically substituted alkyl carboxylic acids and use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-02-04 | — | — | US | disclosed |
| US-20120028971-A1 | OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-02-02 | — | — | US | disclosed |
| EP-2406215-A1 | OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF | Bayer Pharma Aktiengesellschaft (DE) | 2012-01-18 | — | — | EP | disclosed |
| WO-2010102717-A1 | OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-09-16 | — | — | WO | disclosed |