⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL83839 | 0.83 | ALDH1A1 (0.58) | — | |
| SCHEMBL26106467 | 0.79 | ALDH1A1 (0.55) | — | |
| SCHEMBL10528160 | 0.73 | ALDH1A1 (0.50) | — | |
| SCHEMBL2986827 | 0.73 | ALDH1A1 (0.50) | — | |
| SCHEMBL7033576 | 0.73 | ALDH1A1 (0.50) | — | |
| SCHEMBL10300271 | 0.73 | ALDH1A1 (0.50) | — | |
| SCHEMBL76792 | 0.71 | — | — | |
| SCHEMBL135761 | 0.71 | — | — | |
| SCHEMBL5057441 | 0.69 | SLC6A4 (0.45) | — | |
| SCHEMBL487511 | 0.69 | — | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0799218-B1 | DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 2003-02-19 | — | — | EP | disclosed |
| US-6486194-B2 | ALZHEIMER'S DISEASE | MERCK FROSST CANADA, INC. (CA) | 2002-11-26 | — | — | US | disclosed |
| US-20020042375-A1 | Method of treating cancer | HEIMBROOK DAVID C (US) | 2002-04-11 | — | — | US | disclosed |
| US-20010016595-A1 | Use of inhibitors of cyclooxygenase in the treatment of neurodegenerative diseases | MERCK FROSST CANADA INC./MERCK FROSST CANADA & CO. | 2001-08-23 | — | — | US | disclosed |
| US-6239173-B1 | ANTIINFLAMMATORY, ANTIPYRETIC, ANALGESIC, AND ANTIARTHRITIC AGENTS | MERCK FROSST CANADA INC./MERCK FROSST CANADA & CO. (CA) | 2001-05-29 | — | — | US | disclosed |
| US-6222048-B1 | AS ANTIINFLAMMATORY, ANTIPYRETIC AND ANALGESIC AGENTS; INHIBITS HORMONE INDUCED UTERINE CONTRACTION; ANTICANCER PROPERTIES; SIDE EFFECT REDUCTION | MERCK FROSST CANADA & CO. (CA) | 2001-04-24 | — | — | US | disclosed |
| EP-0980866-A2 | Phenyl heterocycles as cyclooxygenase-2 inhibitors | Merck Frosst Canada & Co. (CA) | 2000-02-23 | — | — | EP | disclosed |
| US-5840746-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA, INC. (CA) | 1998-11-24 | — | — | US | disclosed |
| EP-0705254-B1 | PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 1998-05-06 | — | — | EP | disclosed |
| EP-0822190-A1 | Phenyl heterocycles as cyclooxygenase-2 inhibitors | MERCK FROSST CANADA INC. (CA) | 1998-02-04 | — | — | EP | disclosed |
| EP-0799218-A1 | DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1997-10-08 | — | — | EP | disclosed |
| EP-0754687-A1 | Phenyl heterocycles as cyclooxygenase-2 inhibitors | MERCK FROSST CANADA INC. (CA) | 1997-01-22 | — | — | EP | disclosed |
| EP-0739340-A1 | PHENYL HETEROCYCLES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-10-30 | — | — | EP | disclosed |
| US-5550142-A | CYCLOOXYGENASE INHIBITORS; ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETIC AGENTS | MERCK FROSST CANADA INC. (CA) | 1996-08-27 | — | — | US | disclosed |
| US-5536752-A | TREATMENT OF CYCLOOXYGENASE-2 MEDIATED DISEASES; ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA INC. (CA) | 1996-07-16 | — | — | US | disclosed |
| WO-1996019469-A1 | DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-06-27 | — | — | WO | disclosed |
| EP-0705254-A1 | PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-04-10 | — | — | EP | disclosed |
| US-5474995-A | Nonsteroidal, antiinflammatory agents | MERCK FROSST CANADA, INC. (CA) | 1995-12-12 | — | — | US | disclosed |
| WO-1995018799-A1 | PHENYL HETEROCYCLES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1995-07-13 | — | — | WO | disclosed |
| WO-1995000501-A2 | PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1995-01-05 | — | — | WO | disclosed |