⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11432606 | 0.72 | — | — | |
| SCHEMBL965871 | 0.72 | — | — | |
| SCHEMBL6007125 | 0.72 | — | — | |
| SCHEMBL2821812 | 0.67 | — | — | |
| SCHEMBL2821813 | 0.67 | — | — | |
| SCHEMBL2823795 | 0.67 | — | — | |
| SCHEMBL7736673 | 0.67 | — | — | |
| SCHEMBL19024102 | 0.67 | — | — | |
| SCHEMBL126821 | 0.67 | — | — | |
| SCHEMBL10897292 | 0.67 | — | — |
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-0510987-B1 | Dehalogenation of organohalogen-containing compounds | HERCULES INC (US) | 1996-09-25 | — | — | EP | claimed |