⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28883808 | 0.87 | GABRR1 (0.39) | — | |
| SCHEMBL27967468 | 0.86 | CA1 (0.47) | — | |
| SCHEMBL2856136 | 0.83 | CA1 (0.53) | — | |
| SCHEMBL3081783 | 0.83 | CA1 (0.53) | — | |
| SCHEMBL28233476 | 0.83 | CA1 (0.53) | — | |
| SCHEMBL385363 | 0.80 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL22144904 | 0.80 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL2914469 | 0.80 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL1144216 | 0.80 | — | — | |
| SCHEMBL12987226 | 0.79 | SMN1; SMN2 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1976904-A | Pyridazin-3 (2H) -one derivatives and their use as PDE4 inhibitors | ALMIRALL LAB (ES) | 2007-06-06 | — | — | CN | disclosed |
| EP-0244129-B1 | OPTICALLY ACTIVE COMPOUND AND LIQUID CRYSTALLINE COMPOSITION | AJINOMOTO CO., INC. (JP) | 1992-11-11 | — | — | EP | disclosed |
| EP-0360683-A1 | Liquid crystals with a chiral structure derived from dehydroxy-4,4' bisphenol | THOMSON-CSF (FR) | 1990-03-28 | — | — | EP | disclosed |
| EP-0174816-A2 | Biphenyl-based diester compounds and liquid crystal compositions containing same | AJINOMOTO CO., INC. (JP) | 1986-03-19 | — | — | EP | disclosed |
| US-4302569-A | ADDITION POLYMERIZATION INITIATOR | ARGUS CHEMICAL CORPORATION (US) | 1981-11-24 | — | — | US | disclosed |