⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5161248 | 0.79 | — | — | |
| SCHEMBL7121806 | 0.79 | — | — | |
| SCHEMBL4643767 | 0.77 | — | — | |
| SCHEMBL17675426 | 0.75 | — | — | |
| SCHEMBL10813588 | 0.74 | KEAP1 (0.34) | — | |
| SCHEMBL7167963 | 0.74 | — | — | |
| SCHEMBL8621096 | 0.73 | MAPT (0.41) | — | |
| SCHEMBL10389443 | 0.72 | HSD17B10 (0.32) | — | |
| SCHEMBL371279 | 0.71 | GNAI3 (0.33) | — | |
| SCHEMBL11130835 | 0.71 | — | — |
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-0647136-B1 | USE OF CONDENSED BIS-(3,4-DIHYDRO-PYRIDINYL)METHANE FOR TREATING CROHN'S DISEASE, COLITIS ULCEROSA, CHRONIC INFLAMATORY PROCESSES AND AS AN ANTIPROLIFERATIVE | BOEHRINGER INGELHEIM INT (DE) | 1997-03-19 | — | — | EP | disclosed |
| EP-0647136-A1 | USE OF CONDENSED BIS-(3,4-DIHYDRO-PYRIDINYL)METHANE FOR TREATING CROHN'S DISEASE, COLITIS ULCEROSA, CHRONIC INFLAMATORY PROCESSES AND AS AN ANTIPROLIFERATIVE. | BOEHRINGER INGELHEIM INT (DE) | 1995-04-12 | — | — | EP | disclosed |
| EP-0288048-B1 | Benzo- and thieno-3,4-dihydropyridine derivates, processes for their preparation, and medicaments containing them | BOEHRINGER INGELHEIM KG (DE) | 1994-06-29 | — | — | EP | disclosed |
| WO-1994000122-A1 | USE OF CONDENSED BIS-(3,4-DIHYDRO-PYRIDINYL)METHANE FOR TREATING CROHN'S DISEASE, COLITIS ULCEROSA, CHRONIC INFLAMATORY PROCESSES AND AS AN ANTIPROLIFERATIVE | BOEHRINGER INGELHEIM KG (DE) | 1994-01-06 | — | — | WO | disclosed |
| EP-0288048-A2 | Benzo- and thieno-3,4-dihydropyridine derivates, processes for their preparation, and medicaments containing them | BOEHRINGER INGELHEIM KG (DE) | 1988-10-26 | — | — | EP | disclosed |