⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL396627 | 0.62 | — | — | |
| SCHEMBL2165667 | 0.60 | — | — | |
| SCHEMBL1266347 | 0.57 | DAO (0.46) | — | |
| SCHEMBL14291579 | 0.57 | — | — | |
| SCHEMBL449962 | 0.56 | — | — | |
| SCHEMBL793638 | 0.54 | CYP2A6 (0.46) | — | |
| SCHEMBL21996 | 0.54 | — | — | |
| SCHEMBL21412173 | 0.54 | — | — | |
| SCHEMBL1188 | 0.53 | — | — | |
| SCHEMBL871619 | 0.52 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4794120-A | BACTERICIDES, FUNGICIDES | SYNTHELABO (FR) | 1988-12-27 | — | — | US | claimed |
| US-7985745-B2 | Including inflammatory pain, post surgical pain, and neuropathic pain; administering a histamine H4 receptor ligand alone or in combination with a histamine H1, H2, or H3 receptor antagonist or an enzyme inhibitor | ABBOTT LABORATORIES (US) | 2011-07-26 | — | — | US | disclosed |
| US-20100305093-A1 | Inhibitors of mTOR and Methods of Making and Using | EXELIXIS, INC. (US) | 2010-12-02 | — | — | US | disclosed |
| US-20080194538-A1 | Method for Pain Treatment | ABBVIE INC. | 2008-08-14 | — | — | US | disclosed |
| WO-2008060766-A2 | HISTAMINE H4 RECEPTOR LIGANDS FOR USE IN PAIN TREATMENT | ABBOTT LABORATORIES (US) | 2008-05-22 | — | — | WO | disclosed |
| US-6933317-B2 | PGD2 receptor antagonistic pharmaceutical compositions | SHIONOGI & CO. LTD. (JP) | 2005-08-23 | — | — | US | disclosed |
| US-20040054003-A1 | Pgd2 receptor antagonistic pharmaceutical compositions | SHIONGI & CO., LTD. (JP) | 2004-03-18 | — | — | US | disclosed |
| EP-1338594-A1 | PGD2 RECEPTOR ANTAGONISTIC PHARMACEUTICAL COMPOSITIONS | SHIONOGI & CO., LTD. (JP) | 2003-08-27 | — | — | EP | disclosed |
| US-4794120-A | BACTERICIDES, FUNGICIDES | SYNTHELABO (FR) | 1988-12-27 | — | — | US | disclosed |