⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16967420 | 1.00 | — | — | |
| SCHEMBL20893684 | 1.00 | — | — | |
| SCHEMBL19341731 | 1.00 | — | — | |
| SCHEMBL120968 | 1.00 | — | — | |
| SCHEMBL7207320 | 1.00 | — | — | |
| SCHEMBL7524203 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7206500 | 0.97 | THRB (0.47) | — | |
| Hydrochloric Acid SCHEMBL7206505 | 0.97 | THRB (0.47) | — | |
| SCHEMBL20680439 | 0.88 | THRB (0.40) | — | |
| SCHEMBL15506651 | 0.84 | — | — |
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-3224235-B1 | PROCESS FOR THE PREPARATION OF CIS- AND TRANS-ENRICHED MDACH | BASF SE (DE) | 2018-11-14 | — | — | EP | claimed |