⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19781496 | 0.83 | — | — | |
| SCHEMBL25746729 | 0.83 | CRBN (0.32) | — | |
| SCHEMBL6887729 | 0.77 | ALDH1A1 (0.44) | — | |
| SCHEMBL232742 | 0.77 | TDP1 (0.37) | — | |
| SCHEMBL28061320 | 0.76 | — | — | |
| SCHEMBL9105 | 0.74 | — | — | |
| Hydrogen Sulfide SCHEMBL28225329 | 0.72 | — | — | |
| SCHEMBL1563009 | 0.72 | — | — | |
| SCHEMBL6966259 | 0.72 | — | — | |
| SCHEMBL27466597 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2040699-A2 | METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 | Vanderbilt University Medical Center (US) | 2009-04-01 | — | — | EP | claimed |
| WO-2007149456-A2 | METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 | VANDERBILT UNIVERSITY (US) | 2007-12-27 | — | — | WO | claimed |
| CN-117326972-A | Compound, preparation method thereof and application thereof in dye | 蓬莱嘉信染料化工股份有限公司 | 2024-01-02 | — | — | CN | disclosed |
| CN-1218399-A | Benzamide treatment of dementia associated with AIDs virus (HIV-4) infection | CENTAUR PHARMACEUTICALS INC (US) | 1999-06-02 | — | — | CN | disclosed |
| US-4242430-A | METAL COMPLESES OF 1,2-PHENYLENEDIAMINES | FUJI PHOTO FILM CO., LTD. (JP) | 1980-12-30 | — | — | US | disclosed |