⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1723817 | 0.69 | — | — | |
| SCHEMBL739960 | 0.69 | — | — | |
| SCHEMBL17771560 | 0.62 | — | — | |
| SCHEMBL2422228 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL14687475 | 0.61 | — | — | |
| SCHEMBL13039973 | 0.61 | — | — | |
| SCHEMBL6872044 | 0.60 | KDM4E (0.33) | — | |
| 1,2-Dichloroethane SCHEMBL28978798 | 0.60 | — | — | |
| SCHEMBL25055377 | 0.59 | — | — | |
| SCHEMBL12852765 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4327034-A | CHEMICAL INTERMEDIATE PREPARED FROM A SULFAMIC ACID HALIDE AND A HALOGEN COMPOUND | BASF AKTIENGESELLSCHAFT (DE) | 1982-04-27 | — | — | US | disclosed |