⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17309559 | 0.84 | — | — | |
| SCHEMBL17293547 | 0.84 | — | — | |
| SCHEMBL17293410 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL17293734 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL17293389 | 0.82 | — | — | |
| SCHEMBL21605307 | 0.75 | KDM1A (0.32) | — | |
| SCHEMBL24425971 | 0.72 | — | — | |
| SCHEMBL717556 | 0.72 | — | — | |
| SCHEMBL13494257 | 0.72 | — | — | |
| SCHEMBL791134 | 0.72 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2325181-B1 | STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT | GENERAL INCORPORATED ASS PHARMA VALLEY PROJECT SUPPORTING ORGANIZATION (JP) | 2017-03-29 | — | — | EP | disclosed |
| US-9586931-B2 | Triazolyl derivatives as Syk inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-03-07 | — | — | US | disclosed |
| US-8557853-B2 | Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents | ALLERGAN, INC. (US) | 2013-10-15 | — | — | US | disclosed |
| US-7598417-B2 | Analgesics; muscular disorders; diarrhea | ALLERGAN, INC. (US) | 2009-10-06 | — | — | US | disclosed |
| US-20080255239-A1 | SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS | ALLERGAN, INC. | 2008-10-16 | — | — | US | disclosed |
| US-20080194650-A1 | ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS | ALLERGHAN, INC. | 2008-08-14 | — | — | US | disclosed |