⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6851114 | 0.76 | — | — | |
| SCHEMBL1241077 | 0.74 | HRH4 (0.37) | — | |
| SCHEMBL12777838 | 0.73 | — | — | |
| SCHEMBL889370 | 0.73 | — | — | |
| SCHEMBL3445980 | 0.71 | — | — | |
| SCHEMBL7484552 | 0.70 | GLA (0.39) | — | |
| SCHEMBL14037799 | 0.70 | — | — | |
| SCHEMBL10563288 | 0.69 | TAAR1 (0.50) | — | |
| SCHEMBL7484547 | 0.68 | CAPN1 (0.33) | — | |
| SCHEMBL12569335 | 0.68 | DGAT1 (0.33) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180099981-A1 | COMPOUNDS, COMPOSITIONS AND METHODS | DENALI THERAPEUTICS INC. | 2018-04-12 | — | — | US | disclosed |
| US-7838545-B2 | 4-(condensed cyclicmethyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists | ALLERGAN, INC. (US) | 2010-11-23 | — | — | US | disclosed |
| US-7795292-B2 | Unsubstituted and substituted 4-benzyl-1,3-dihydro-imidazole-2-thiones acting as specific or selective alpha2 adrenergic agonists and methods for using the same | ALLERGAN, INC. (US) | 2010-09-14 | — | — | US | disclosed |
| US-20090176828-A1 | 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS | ALLERGAN, INC. (US) | 2009-07-09 | — | — | US | disclosed |
| US-20080221152-A1 | 4-(HETEROARYL-METHYL AND SUBSTITUTED HETEROARYL-METHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS | ALLERGAN, INC. (US) | 2008-09-11 | — | — | US | disclosed |
| US-7399868-B2 | 4-(Heteroaryl-methyl and substituted heteroaryl-methyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists | ALLERGAN, INC. (US) | 2008-07-15 | — | — | US | disclosed |
| US-7396849-B2 | 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as α2 adrenergic agonists | ALLERGAN, INC. (US) | 2008-07-08 | — | — | US | disclosed |