⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1715892 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL1715307 | 0.85 | IDO1 (0.41) | — | |
| SCHEMBL4021816 | 0.85 | IDO1 (0.42) | — | |
| SCHEMBL21625300 | 0.73 | — | — | |
| SCHEMBL8168179 | 0.72 | — | — | |
| SCHEMBL4979151 | 0.69 | — | — | |
| SCHEMBL15417357 | 0.69 | — | — | |
| SCHEMBL129698 | 0.69 | — | — | |
| SCHEMBL19121793 | 0.69 | — | — | |
| SCHEMBL24354680 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101163504-A | Combination therapy | XENON PHARMACEUTICALS INC (CA) | 2008-04-16 | — | — | CN | claimed |
| CN-103360440-B | Antibacterial aminoglycoside analogs | 尔察祯有限公司 | 2016-08-31 | — | — | CN | disclosed |
| WO-2012001107-A1 | PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-01-05 | — | — | WO | disclosed |
| CN-101980709-A | Pyridazine derivatives and their use as therapeutic agents | XENON PHARMACEUTICALS INC | 2011-02-23 | — | — | CN | disclosed |
| CN-101669952-A | Pyridazine derivatives and their use as therapeutic agents | XENON PHARMACEUTICALS INC | 2010-03-17 | — | — | CN | disclosed |
| CN-101163504-A | Combination therapy | XENON PHARMACEUTICALS INC (CA) | 2008-04-16 | — | — | CN | disclosed |
| US-4045485-A | ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC AND ANTIPRURITIC ACTIVITY | SYNTEX CORPORATION (US) | 1977-08-30 | — | — | US | disclosed |
| US-3960936-A | ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, SKIN DISORDERS | SYNTEX CORPORATION (PM) | 1976-06-01 | — | — | US | disclosed |
| US-3947472-A | ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC | SYNTEX CORPORATION (PM) | 1976-03-30 | — | — | US | disclosed |
| US-3935273-A | ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC | SYNTEX CORPORATION (US) | 1976-01-27 | — | — | US | disclosed |