⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11034571 | 0.71 | — | — | |
| SCHEMBL17860609 | 0.60 | — | — | |
| SCHEMBL8030467 | 0.55 | — | — | |
| Thiourea SCHEMBL1395770 | 0.53 | NOS2 (0.36) | — | |
| Thiourea SCHEMBL50650 | 0.53 | — | — | |
| Thiourea SCHEMBL28271193 | 0.53 | — | — | |
| SCHEMBL15561407 | 0.53 | — | — | |
| Bromide SCHEMBL8020971 | 0.53 | — | — | |
| SCHEMBL14932779 | 0.53 | — | — | |
| SCHEMBL130293 | 0.51 | — | — |
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-1382721-B1 | Coating for inhibiting oxidation of a substrate | BOEING CO (US) | 2012-06-13 | — | — | EP | disclosed |