⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11173819 | 0.78 | GRIK1 (0.31) | — | |
| SCHEMBL736850 | 0.73 | — | — | |
| SCHEMBL736851 | 0.73 | — | — | |
| SCHEMBL11220709 | 0.71 | — | — | |
| SCHEMBL13724537 | 0.71 | — | — | |
| SCHEMBL6807103 | 0.65 | — | — | |
| SCHEMBL11664746 | 0.65 | — | — | |
| SCHEMBL8819731 | 0.65 | — | — | |
| SCHEMBL662803 | 0.63 | — | — | |
| SCHEMBL29204159 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1983001616-A1 | PROCESS FOR THE PREPARATION OF 1,1-DICHLORO-4-METHYL-1,3-PENTADIENE | SOOS, RUDOLF | 1983-05-11 | — | — | WO | disclosed |