⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3841158 | 0.92 | — | — | |
| SCHEMBL11773518 | 0.89 | — | — | |
| SCHEMBL379946 | 0.89 | — | — | |
| SCHEMBL11775307 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL2311189 | 0.86 | — | — | |
| SCHEMBL5565060 | 0.84 | — | — | |
| SCHEMBL11773813 | 0.81 | — | — | |
| SCHEMBL1856253 | 0.81 | — | — | |
| SCHEMBL11770273 | 0.78 | — | — | |
| SCHEMBL11776342 | 0.78 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050113376-A1 | Compositions of a cyclooxygenase-2 selective inhibitor, a xanthine compound and an alcohol for the treatment of ischemic mediated central nervous system disorders or injury | PHARMACIA CORPORATION | 2005-05-26 | — | — | US | disclosed |
| US-20050085478-A1 | Compositions of a cyclooxygenase-2 selective inhibitor and a low-molecular-weight heparin for the treatment of central nervous system damage | PHARMACIA CORPORATION | 2005-04-21 | — | — | US | disclosed |
| US-20050085479-A1 | Mediated central nervous system compositions of a cyclooxygenase-2 selective inhibitor and a corticotropin releasing factor antagonist for the treatment of ischemic disorders or injury | PHARMACIA CORPORATION | 2005-04-21 | — | — | US | disclosed |
| US-20050080083-A1 | Compositions of a cyclooxygenase-2 selective inhibitor and an angiotensin II receptor antagonist for the treatment of central nervous system damage | PHARMACIA CORPORATION (US) | 2005-04-14 | — | — | US | disclosed |
| US-20050080084-A1 | Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage | PHARMACIA CORPORATION | 2005-04-14 | — | — | US | disclosed |
| US-20050075341-A1 | Compositions of a cyclooxygenase-2 selective inhibitor and an IKK inhibitor for the treatment of ischemic mediated central nervous system disorders or injury | PHARMACIA CORPORATION (US) | 2005-04-07 | — | — | US | disclosed |
| US-20050070524-A1 | Compositions of a cyclooxygenase-2 selective inhibitor and an anticonvulsant agent for the treatment of central nervous system disorders | PHARMACIA CORPORATION | 2005-03-31 | — | — | US | disclosed |
| US-20050054646-A1 | Compositions of a cyclooxygenase-2 selective inhibitor and an antioxidant agent for the treatment of central nervous system disorders | PHARMACIA CORPORATION | 2005-03-10 | — | — | US | disclosed |
| US-20050009733-A1 | Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage | PHARMACIA CORPORATION | 2005-01-13 | — | — | US | disclosed |
| US-3989744-A | STIMULATES SMOOTH MUSCLES, PROSTAGLANDINS | MILES LABORATORIES, INC. (US) | 1976-11-02 | — | — | US | disclosed |