⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27519672 | 0.78 | — | — | |
| SCHEMBL27280650 | 0.74 | — | — | |
| Carbamic Acid SCHEMBL27643073 | 0.74 | ACHE (0.54) | — | |
| SCHEMBL1397888 | 0.71 | — | — | |
| Guanidine SCHEMBL28145509 | 0.71 | TSHR (0.50) | — | |
| SCHEMBL346554 | 0.71 | — | — | |
| SCHEMBL8809331 | 0.71 | — | — | |
| Urea SCHEMBL28155135 | 0.70 | TSHR (0.57) | — | |
| SCHEMBL64716 | 0.69 | — | — | |
| SCHEMBL10623380 | 0.69 | NFKB1 (0.54) | — |
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-2001036570-A1 | FUEL OILS PROVIDING EXHAUST GASES WITH LOW NOx CONTENTS WHEN COMBUSTED | BERTHA ANDRAS (HU) | 2001-05-25 | — | — | WO | disclosed |