⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13467108 | 0.88 | ERCC5 (0.33) | — | |
| SCHEMBL20306486 | 0.85 | — | — | |
| SCHEMBL11892865 | 0.83 | ERCC5 (0.34) | — | |
| SCHEMBL12567045 | 0.83 | — | — | |
| SCHEMBL1620150 | 0.82 | — | — | |
| SCHEMBL12336835 | 0.81 | ERCC5 (0.30) | — | |
| SCHEMBL24620827 | 0.78 | PDPK1 (0.37) | — | |
| SCHEMBL15274878 | 0.78 | PDPK1 (0.37) | — | |
| SCHEMBL18725315 | 0.78 | — | — | |
| SCHEMBL11892862 | 0.78 | LMNA (0.31) | — |
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-10005879-B2 | Method for producing an organic semiconductor device | BASF SE (DE) | 2018-06-26 | — | — | US | disclosed |