⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9517370 | 0.75 | ALDH1A1 (0.54) | — | |
| SCHEMBL8540596 | 0.75 | MAPT (0.50) | — | |
| SCHEMBL9517373 | 0.75 | ALDH1A1 (0.54) | — | |
| SCHEMBL9517366 | 0.75 | ALDH1A1 (0.54) | — | |
| SCHEMBL2944524 | 0.74 | LMNA (0.43) | — | |
| SCHEMBL95991 | 0.71 | — | — | |
| SCHEMBL2850801 | 0.71 | — | — | |
| SCHEMBL2438527 | 0.71 | — | — | |
| Phenyl Vinyl Sulfide SCHEMBL1331428 | 0.71 | — | — | |
| SCHEMBL6959416 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050137220-A1 | Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors | PHARMACIA CORPORATION (US) | 2005-06-23 | — | — | US | claimed |
| US-20050137220-A1 | Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors | PHARMACIA CORPORATION (US) | 2005-06-23 | — | — | US | disclosed |
| WO-2005009370-A2 | BETA-CARBOLINE COMPOUNDS AND ANALOGUES THEREOF AND THEIR USE AS MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS | PHARMACIA CORPORATION (US) | 2005-02-03 | — | — | WO | disclosed |
| US-5573999-A | FUNGICIDES AND INSECTICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1996-11-12 | — | — | US | disclosed |
| US-5538940-A | FUNGICIDE, MITICIDE, INSECTICIDE | BASF AKTIENGESELLSCHAFT (DE) | 1996-07-23 | — | — | US | disclosed |
| EP-0525516-B1 | Derivatives of beta substituted cinnomic acid | BASF AG (DE) | 1995-09-27 | — | — | EP | disclosed |
| EP-0525516-A2 | Derivatives of beta substituted cinnomic acid | BASF Aktiengesellschaft (DE) | 1993-02-03 | — | — | EP | disclosed |