⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2610169 | 0.93 | — | — | |
| SCHEMBL11913493 | 0.89 | — | — | |
| SCHEMBL14123528 | 0.89 | — | — | |
| SCHEMBL12119465 | 0.88 | — | — | |
| SCHEMBL18965630 | 0.85 | — | — | |
| SCHEMBL18878562 | 0.84 | — | — | |
| SCHEMBL13164855 | 0.83 | — | — | |
| SCHEMBL18718121 | 0.83 | — | — | |
| SCHEMBL15965794 | 0.82 | — | — | |
| SCHEMBL16884886 | 0.82 | — | — |
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-2017097924-A1 | NAPHTHOINDACENODITHIOPHENES AND POLYMERS | BASF SE (DE) | 2017-06-15 | — | — | WO | disclosed |