⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27573079 | 0.64 | — | — | |
| SCHEMBL12280437 | 0.61 | — | — | |
| SCHEMBL2793744 | 0.61 | — | — | |
| SCHEMBL14116852 | 0.61 | — | — | |
| SCHEMBL380510 | 0.60 | — | — | |
| SCHEMBL27735408 | 0.60 | — | — | |
| SCHEMBL13699395 | 0.59 | — | — | |
| SCHEMBL13816798 | 0.59 | — | — | |
| SCHEMBL7897799 | 0.58 | — | — | |
| SCHEMBL31299409 | 0.58 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0231744-B1 | SUBSTITUTED PYRROL-1-YLPHENYLDIHYDROPYRIDAZINONES, THEIR PREPARATION AND USE | BASF Aktiengesellschaft (DE) | 1990-05-30 | — | — | EP | disclosed |