⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11470552 | 0.77 | HTR2A (0.33) | — | |
| SCHEMBL773442 | 0.74 | — | — | |
| SCHEMBL3073668 | 0.74 | — | — | |
| SCHEMBL133715 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL6782765 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL4105877 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL11561001 | 0.72 | — | — | |
| SCHEMBL467039 | 0.72 | — | — | |
| SCHEMBL28387067 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL6360429 | 0.72 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1851199-B1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMA INC (US) | 2012-05-16 | — | — | EP | disclosed |
| US-7625889-B2 | Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists | AVENTIS PHARMACEUTICALS INC. (US) | 2009-12-01 | — | — | US | disclosed |
| US-20070265309-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2007-11-15 | — | — | US | disclosed |
| US-4525478-A | Certain 4-aryl-1,4-dihydro-3,5-pyridinedicarboxylates having vasodilating and anti-hypertensive properties | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1985-06-25 | — | — | US | disclosed |
| US-4370334-A | VASODILATION | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1983-01-25 | — | — | US | disclosed |
| US-4338322-A | 1,4-Dihydropyridine derivatives, pharmaceutical compositions containing same and methods of effecting vasodilation using same | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1982-07-06 | — | — | US | disclosed |
| US-4284634-A | HYPOTENSIVE VASODILATORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1981-08-18 | — | — | US | disclosed |
| US-4145432-A | 6-ACYLORYALKYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND A METHOD OF EFFECTING VASODILATION THEREWITH | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1979-03-20 | — | — | US | disclosed |