⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL724115 | 0.77 | — | — | |
| Water SCHEMBL27700128 | 0.74 | — | — | |
| SCHEMBL17459882 | 0.72 | — | — | |
| SCHEMBL17467119 | 0.72 | — | — | |
| SCHEMBL11233066 | 0.69 | — | — | |
| SCHEMBL11246436 | 0.69 | — | — | |
| SCHEMBL11254995 | 0.69 | — | — | |
| SCHEMBL15127961 | 0.69 | — | — | |
| SCHEMBL5907550 | 0.69 | ACHE (0.39) | — | |
| SCHEMBL811704 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7807138-B2 | Biomarkers of metabolic responses to hepatic drugs | METABOLON, INC. (US) | 2010-10-05 | — | — | US | claimed |
| US-7807138-B2 | Biomarkers of metabolic responses to hepatic drugs | METABOLON, INC. (US) | 2010-10-05 | — | — | US | disclosed |
| US-20080213745-A1 | Biomarkers Of Metabolic Responses To Hepatotoxicants And Carcinogens | METABOLON, INC. | 2008-09-04 | — | — | US | disclosed |
| US-20080176266-A1 | Biomarkers Of Metabolic Responses To Hepatotoxicants And Carcinogens | METABOLON, INC. | 2008-07-24 | — | — | US | disclosed |
| EP-1263752-B1 | LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE | UNIV TENNESSEE RES CORP (US) | 2007-12-05 | — | — | EP | disclosed |