⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27245489 | 0.82 | — | — | |
| SCHEMBL12568678 | 0.81 | MEN1 (0.39) | — | |
| SCHEMBL35515 | 0.81 | CA12 (0.35) | — | |
| SCHEMBL11380865 | 0.81 | KMT2A (0.33) | — | |
| SCHEMBL896888 | 0.81 | CA12 (0.35) | — | |
| SCHEMBL20455799 | 0.80 | LMNA (0.32) | — | |
| Methyl Alcohol SCHEMBL22551142 | 0.79 | CA12 (0.34) | — | |
| SCHEMBL29040175 | 0.79 | CA12 (0.34) | — | |
| SCHEMBL16666204 | 0.79 | CA12 (0.34) | — | |
| Alcohol SCHEMBL28802362 | 0.78 | CA12 (0.33) | — |
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-2021043985-A1 | ORGANIC-SOLVENT BASED COATING COMPOSITION FOR COATING A SURFACE OF A METAL SUBSTRATE FOR INCREASING THE COEFFICIENT OF FRICTION OF THE SURFACE OF THE METAL SUBSTRATE | ATOTECH DEUTSCHLAND GMBH (DE) | 2021-03-11 | — | — | WO | disclosed |