⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30712304 | 0.72 | — | — | |
| SCHEMBL27704000 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL818111 | 0.65 | TSHR (0.31) | — | |
| SCHEMBL5484576 | 0.64 | — | — | |
| SCHEMBL7227768 | 0.64 | KDM4E (0.35) | — | |
| SCHEMBL2473547 | 0.58 | — | — | |
| SCHEMBL8022206 | 0.58 | ALDH1A1 (0.46) | — | |
| SCHEMBL21701333 | 0.57 | TSHR (0.31) | — | |
| SCHEMBL28963961 | 0.57 | — | — | |
| SCHEMBL28602951 | 0.55 | GABRP (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-53090266-A | — | — | None | — | — | JP | disclosed |
| US-7585978-B2 | Processes of manufacturing substituted-1,4-dihydropyridines, improved aqueous solutions thereof, and processes of manufacturing the solutions | NAVINTA LLC (US) | 2009-09-08 | — | — | US | disclosed |
| US-20080125595-A1 | Single step one pot process for making nicardipine hydrochloride from 3-nitro-benzaldehyde, methyl aminocrotonate, and N-benzyl-N-methylaminoethyl acetoacetate; aqueous, injectable isotonic solution of nicardipine hydrochloride, L-arginine, and a sugar alcohol | NAVINTA LLC. | 2008-05-29 | — | — | US | disclosed |
| JP-S5390266-A | PREPARATION OF NOVEL 1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLIC ACID AMINOALKYLESTER DERIVS. | YAMANOUCHI PHARMACEUT CO LTD | 1978-08-08 | — | — | JP | disclosed |