⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6955222 | 0.90 | PTGS1 (0.51) | — | |
| SCHEMBL6950686 | 0.90 | — | — | |
| SCHEMBL6955444 | 0.89 | — | — | |
| SCHEMBL6952041 | 0.86 | — | — | |
| SCHEMBL6960787 | 0.86 | PTGS2 (0.69) | — | |
| SCHEMBL6165496 | 0.83 | PTGS2 (0.71) | — | |
| SCHEMBL6165710 | 0.83 | — | — | |
| SCHEMBL6167601 | 0.82 | — | — | |
| SCHEMBL6167840 | 0.82 | — | — | |
| SCHEMBL6166124 | 0.82 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1104758-B1 | Acetylene derivatives as anti-inflammatory/analgesic agents | PFIZER PROD INC (US) | 2003-07-23 | — | — | EP | disclosed |
| US-6506779-B1 | useful in the treatment or alleviation of inflammation and other inflammation associated disorders, such as arthritis, colon cancer, and Alzheimer's disease in mammals, preferably humans, dogs, cats and livestock. | PFIZER INC. | 2003-01-14 | — | — | US | disclosed |
| EP-1104758-A1 | Acetylene derivatives as anti-inflammatory/analgesic agents | Pfizer Products Inc. (US) | 2001-06-06 | — | — | EP | disclosed |