⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2146911 | 0.67 | — | — | |
| SCHEMBL17157487 | 0.67 | — | — | |
| SCHEMBL6427950 | 0.67 | — | — | |
| SCHEMBL1431147 | 0.67 | — | — | |
| SCHEMBL580953 | 0.67 | — | — | |
| SCHEMBL6445003 | 0.62 | — | — | |
| SCHEMBL930057 | 0.62 | — | — | |
| SCHEMBL27639 | 0.62 | — | — | |
| SCHEMBL6051198 | 0.62 | — | — | |
| SCHEMBL2230207 | 0.62 | — | — |
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-0929529-A2 | AZINYLOXY, AND PHENOXY-DIARYL-CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE AS MIXED ET A?/ET B? ENDOTHELIN RECEPTOR ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 1999-07-21 | — | — | EP | disclosed |
| WO-1998009953-A2 | AZINYLOXY-AND PHENOXY-DIARYL-CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE AS MIXED ETA/ETB ENDOTHELIN RECEPTOR ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 1998-03-12 | — | — | WO | disclosed |
| EP-0112280-B1 | 2-ARYL-4,6-DIHALOGEN PYRIMIDINES AS ANTIDOTES FOR PROTECTING CULTIVATED PLANTS BEFORE PHYTOTOXIC DAMAGE CAUSED BY A HERBICIDE | CIBA-GEIGY AG (CH) | 1990-08-29 | — | — | EP | disclosed |
| US-4443435-A | ANTICARCINOGENS, HYPOTENSIVE AGENTS, HYPERTHYROIDISM | MERCK & CO., INC. (US) | 1984-04-17 | — | — | US | disclosed |
| EP-0038541-A1 | Novel prodrugs of biologically active agents containing mercapto groups, process for preparing and therapeutically effective composition containing the same | MERCK & CO. INC. (US) | 1981-10-28 | — | — | EP | disclosed |