⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15113778 | 0.82 | HMGCR (0.31) | — | |
| SCHEMBL1865042 | 0.82 | PRKCA (0.32) | — | |
| SCHEMBL1972396 | 0.81 | MEN1 (0.39) | — | |
| SCHEMBL366346 | 0.81 | MMP8 (0.38) | — | |
| SCHEMBL9692741 | 0.81 | TP53 (0.31) | — | |
| SCHEMBL25082833 | 0.79 | ALDH1A1 (0.34) | — | |
| SCHEMBL8947297 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL5613955 | 0.77 | CA2 (0.40) | — | |
| SCHEMBL4297712 | 0.76 | PRKCA (0.41) | — | |
| SCHEMBL9862867 | 0.76 | PRKCA (0.41) | — |
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-20120016072-A1 | HARDENER FOR SILICONE RUBBER MATERIALS | NITRO-CHEME ASCHAU GmbH (DE) | 2012-01-19 | — | — | US | disclosed |