⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7705506 | 0.82 | — | — | |
| SCHEMBL7122180 | 0.82 | — | — | |
| SCHEMBL3689551 | 0.82 | OPRM1 (0.43) | — | |
| SCHEMBL11119184 | 0.79 | TRPV1 (0.46) | — | |
| SCHEMBL10356278 | 0.79 | TRPV1 (0.46) | — | |
| SCHEMBL28853141 | 0.79 | — | — | |
| SCHEMBL6896119 | 0.77 | — | — | |
| SCHEMBL20365804 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL14928991 | 0.74 | — | — | |
| SCHEMBL21973386 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1747210-B1 | 3- OR 4-MONOSUBSTITUTED PHENOL AND THIOPHENOL DERIVATIVES USEFUL AS H3 LIGANDS | WARNER LAMBERT CO (US) | 2010-06-30 | — | — | EP | disclosed |
| US-7456164-B2 | Useful for treatment of H3-related diseases such as neurologic disorders, or inflammatory, respiratory and allergic diseases, disorders and conditions; for example, 4-[4-(1-isopropylpiperidin-4-yloxy)phenyl]tetrahydropyran-4-carbonitrile; well absorbed from gastrointestinal tract, metabolically stable | PFIZER, INC (US) | 2008-11-25 | — | — | US | disclosed |
| EP-1747210-A1 | 3- OR 4-MONOSUBSTITUTED PHENOL AND THIOPHENOL DERIVATIVES USEFUL AS H3 LIGANDS | Warner-Lambert Company LLC (US) | 2007-01-31 | — | — | EP | disclosed |
| US-20050267095-A1 | 3- or 4-monosubstituted phenol and thiophenol derivatives useful as H3 ligands | ZIARCO INC. | 2005-12-01 | — | — | US | disclosed |
| WO-2005108384-A1 | 3- OR 4-MONOSUBSTITUTED PHENOL AND THIOPHENOL DERIVATIVES USEFUL AS H3 LIGANDS | WARNER-LAMBERT COMPANY LLC (US) | 2005-11-17 | — | — | WO | disclosed |
| EP-1593679-A1 | 3- Or 4-monosubstituted phenol derivatives useful as H3 ligands | Warner-Lambert Company LLC (US) | 2005-11-09 | — | — | EP | disclosed |