⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL308132 | 0.88 | — | — | |
| SCHEMBL308174 | 0.83 | HTR2C (0.33) | — | |
| SCHEMBL308890 | 0.78 | HTR2C (0.33) | — | |
| SCHEMBL308430 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL308499 | 0.68 | HTR2C (0.40) | — | |
| SCHEMBL308399 | 0.66 | IDO1 (0.33) | — | |
| SCHEMBL2255444 | 0.65 | ALDH1A1 (0.41) | — | |
| SCHEMBL294484 | 0.63 | TSHR (0.44) | — | |
| SCHEMBL6986127 | 0.62 | — | — | |
| SCHEMBL7836633 | 0.62 | TSHR (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2111406-B1 | SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS | MERCK SHARP & DOHME (US) | 2012-10-24 | — | — | EP | disclosed |
| US-8093389-B2 | e.g. 1-[(1-Ethyl-4-methoxy-1H-benzimidazol-6-yl)carbonyl]-6-(1H-tetrazol-5-yl)spiro[chroman-2,4'-piperidine]-4-one; acetyl CoA carboxylase inhibitors; antidiabetic, hypoglycemic agent; metabolic syndrome, fatty liver, hyperlipemia, obesity, diabetes, bulimia, malignant neoplasm or infectious diseases | MERCK SHARP & DOHME CORP. (US) | 2012-01-10 | — | — | US | disclosed |
| US-20080171761-A1 | Substituted spirochromanone derivatives | MERCK SHARP & DOHME LLC | 2008-07-17 | — | — | US | disclosed |