⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL45880 | 0.83 | — | — | |
| SCHEMBL24642787 | 0.81 | — | — | |
| SCHEMBL12948067 | 0.79 | ALOX5AP (0.31) | — | |
| SCHEMBL21794149 | 0.77 | TRPV4 (0.34) | — | |
| SCHEMBL22861183 | 0.77 | APLNR (0.33) | — | |
| SCHEMBL9925511 | 0.77 | TRPV4 (0.34) | — | |
| SCHEMBL45848 | 0.76 | TP53 (0.33) | — | |
| SCHEMBL24247022 | 0.75 | ESR1 (0.30) | — | |
| SCHEMBL20207042 | 0.71 | ESR1 (0.33) | — | |
| SCHEMBL20122654 | 0.71 | AR (0.30) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8222239-B2 | quaternary ammonium compounds, conjugated to polymers, used as microbiocides | ALLACCEM, INC. (US) | 2012-07-17 | — | — | US | disclosed |
| US-8188068-B2 | Bridged polycyclic compound based compositions for coating oral surfaces in pets | ALLACCEM, INC. (US) | 2012-05-29 | — | — | US | disclosed |
| US-8153617-B2 | Bridged polycyclic compound based compositions for coating oral surfaces in humans | ALLACCEM, INC. (US) | 2012-04-10 | — | — | US | disclosed |
| US-7939666-B2 | Enzyme inhibitors | CHROMA THERAPEUTICS LTD. (GB) | 2011-05-10 | — | — | US | disclosed |
| US-20090291978-A1 | Enzyme Inhibitors | CHROMA THERAPEUTICS LTD. (GB) | 2009-11-26 | — | — | US | disclosed |
| US-20090105262-A1 | Bridged polycyclic compound based compositions for coating oral surfaces in humans | ALLACCEM, INC. | 2009-04-23 | — | — | US | disclosed |
| US-20090054528-A1 | Bridged polycyclic compound based compositions for coating oral surfaces in pets | ALLACCEM, INC. | 2009-02-26 | — | — | US | disclosed |