⚠ 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 SCHEMBL11845673 | 0.98 | — | — | |
| Ammonia Solution, Strong SCHEMBL5316774 | 0.86 | HSD11B1 (0.31) | — | |
| SCHEMBL11142350 | 0.83 | ALDH1A1 (0.46) | — | |
| SCHEMBL11531912 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL9656113 | 0.76 | — | — | |
| SCHEMBL9238409 | 0.75 | HTR2B (0.34) | — | |
| SCHEMBL23047083 | 0.73 | — | — | |
| SCHEMBL9432506 | 0.73 | — | — | |
| SCHEMBL4674255 | 0.73 | — | — | |
| SCHEMBL6114034 | 0.73 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008077194-A1 | RECEPTOR AGONISTS | XENOME LTD (AU) | 2008-07-03 | — | — | WO | claimed |
| EP-3071203-A2 | TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS | Forma Therapeutics, Inc. (US) | 2016-09-28 | — | — | EP | disclosed |
| WO-2015074064-A2 | TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS | BAIR KENNETH W (US) | 2015-05-21 | — | — | WO | disclosed |
| US-20100099663-A1 | 4-TRIFLUOROMETHOXYPHENOXYBENZOL-4'-SULFONIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF IN MEDICAMENTS | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2010-04-22 | — | — | US | disclosed |
| WO-2008077194-A1 | RECEPTOR AGONISTS | XENOME LTD (AU) | 2008-07-03 | — | — | WO | disclosed |
| US-20070155778-A1 | 4-Trifluoromethoxyphenoxybenzol-4-Sulfonic Acids, Method For The Production And Use Thereof In Medicaments | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2007-07-05 | — | — | US | disclosed |