⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13280560 | 0.84 | CA1 (0.36) | — | |
| SCHEMBL5705481 | 0.83 | INPPL1 (0.43) | — | |
| SCHEMBL1276696 | 0.72 | CA1 (0.32) | — | |
| SCHEMBL28888439 | 0.70 | CA1 (0.31) | — | |
| SCHEMBL8409318 | 0.70 | CA1 (0.31) | — | |
| Phosphoric Acid SCHEMBL3487750 | 0.69 | ESR1 (0.30) | — | |
| Phosphoric Acid SCHEMBL28491125 | 0.69 | ESR1 (0.30) | — | |
| SCHEMBL14062617 | 0.69 | KDM4E (0.37) | — | |
| SCHEMBL3487751 | 0.69 | INPPL1 (0.48) | — | |
| SCHEMBL8412575 | 0.69 | CA1 (0.33) | — |
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-1054933-A4 | CHEMILUMINESCENT REACTIONS USING DIHYDROXYAROMATIC COMPOUNDS AND HETEROCYCLIC ENOL PHOSPHATES | LUMIGEN INC (US) | 2003-07-09 | — | — | EP | claimed |
| EP-1054933-A1 | CHEMILUMINESCENT REACTIONS USING DIHYDROXYAROMATIC COMPOUNDS AND HETEROCYCLIC ENOL PHOSPHATES | LUMIGEN, INC. (US) | 2000-11-29 | — | — | EP | claimed |
| WO-1999040161-A1 | CHEMILUMINESCENT REACTIONS USING DIHYDROXYAROMATIC COMPOUNDS AND HETEROCYCLIC ENOL PHOSPHATES | LUMIGEN, INC. (US) | 1999-08-12 | — | — | WO | claimed |
| US-5840963-A | HALOGEN-SUBSTITUTED HYDROQUINONES HAVING ONE HYDROXY GROUP PROTECTED BY PHOSPHATE GROUP | LUMIGEN, INC. (US) | 1998-11-24 | — | — | US | claimed |
| EP-1054933-B1 | CHEMILUMINESCENT REACTIONS USING DIHYDROXYAROMATIC COMPOUNDS AND HETEROCYCLIC ENOL PHOSPHATES | LUMIGEN INC (US) | 2006-09-06 | — | — | EP | disclosed |
| US-5772926-A | ANALYSIS OF HYDROLYTIC ENZYMES AND ENZYME INHIBITORS; LABELED BINDING PAIRS | LUMIGEN, INC. (US) | 1998-06-30 | — | — | US | disclosed |