⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18034192 | 0.78 | CA2 (0.36) | — | |
| Water SCHEMBL7042206 | 0.76 | CA2 (0.35) | — | |
| SCHEMBL19844934 | 0.73 | LMNA (0.36) | — | |
| SCHEMBL13711948 | 0.65 | CA1 (0.31) | — | |
| SCHEMBL16822335 | 0.65 | GLA (0.42) | — | |
| SCHEMBL8507597 | 0.65 | THRB (0.38) | — | |
| SCHEMBL19844941 | 0.64 | ALDH1A1 (0.37) | — | |
| SCHEMBL30609 | 0.62 | PTGS1 (0.43) | — | |
| SCHEMBL937040 | 0.62 | LMNA (0.52) | — | |
| Sulfuric Acid SCHEMBL11345321 | 0.62 | LMNA (0.46) | — |
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-20180037598-A1 | METHODS OF MAKING AND USING LIGNIN DERIVATIVES | BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA | 2018-02-08 | — | — | US | disclosed |