⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28190714 | 0.70 | CASP1 (0.32) | — | |
| SCHEMBL30030411 | 0.66 | IDO1 (0.32) | — | |
| SCHEMBL27368384 | 0.66 | IDO1 (0.32) | — | |
| SCHEMBL27459327 | 0.66 | — | — | |
| SCHEMBL8595375 | 0.64 | — | — | |
| SCHEMBL28023171 | 0.62 | MAPT (0.32) | — | |
| SCHEMBL16486471 | 0.61 | MAPT (0.34) | — | |
| SCHEMBL10865783 | 0.61 | MEN1 (0.36) | — | |
| SCHEMBL5656918 | 0.61 | MEN1 (0.32) | — | |
| SCHEMBL28190715 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0672037-B1 | 1,4-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS CCK-MODULATORS | GLAXO GROUP LTD (GB) | 1998-07-08 | — | — | EP | disclosed |
| US-5569654-A | ADMINISTERING AS ANTAGONISTS OF GASTRIN AND CHOLECYSTOKININ | GLAXO GROUP LIMITED (GB) | 1996-10-29 | — | — | US | disclosed |
| EP-0672037-A1 | 1,4-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS CCK-MODULATORS | GLAXO GROUP LIMITED (GB) | 1995-09-20 | — | — | EP | disclosed |
| WO-1994013648-A1 | 1,4-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS CCK-MODULATORS | GLAXO GROUP LIMITED (GB) | 1994-06-23 | — | — | WO | disclosed |