⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29796695 | 0.74 | — | — | |
| SCHEMBL2762395 | 0.74 | — | — | |
| SCHEMBL3638753 | 0.74 | — | — | |
| SCHEMBL16861251 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL4054381 | 0.72 | — | — | |
| SCHEMBL8514098 | 0.71 | POLB (0.47) | — | |
| SCHEMBL3264150 | 0.71 | CHRM2 (0.34) | — | |
| SCHEMBL2573666 | 0.71 | POLB (0.47) | — | |
| SCHEMBL2562914 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL10704193 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1651631-A1 | BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE | GENELABS TECHNOLOGIES, INC. (US) | 2006-05-03 | — | — | EP | disclosed |
| WO-2005012288-A1 | BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE | GENELABS TECHNOLOGIES, INC (US) | 2005-02-10 | — | — | WO | disclosed |
| WO-2004101533-A1 | 1, 3, 4-BENZOTRIAZEPIN-2-ONE SALTS AND THEIR USE AS CCK RECEPTOR LIGANDS | JANSSEN PHARMACEUTICA, N.V. (US) | 2004-11-25 | — | — | WO | disclosed |
| EP-1443934-A1 | BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS | JAMES BLACK FOUNDATION LIMITED (GB) | 2004-08-11 | — | — | EP | disclosed |
| WO-2003041714-A1 | BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS | JAMES BLACK FOUNDATION LIMITED (GB) | 2003-05-22 | — | — | WO | disclosed |
| EP-1294688-A2 | INDOLINONE DERIVATIVES AS PROTEIN KINASE/PHOSPHATASE INHIBITORS | Sugen, Inc. (US) | 2003-03-26 | — | — | EP | disclosed |
| WO-2001094312-A2 | INDOLINONE DERIVATIVES AS PROTEIN KINASE/PHOSPHATASE INHIBITORS | SUGEN, INC. (US) | 2001-12-13 | — | — | WO | disclosed |