⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20040179 | 0.94 | MAPT (0.32) | — | |
| SCHEMBL20040197 | 0.91 | — | — | |
| SCHEMBL19917198 | 0.91 | — | — | |
| SCHEMBL20040180 | 0.90 | — | — | |
| SCHEMBL20040212 | 0.90 | — | — | |
| SCHEMBL19917210 | 0.87 | — | — | |
| SCHEMBL20040195 | 0.85 | MEN1 (0.32) | — | |
| SCHEMBL20040166 | 0.85 | MEN1 (0.32) | — | |
| SCHEMBL21156243 | 0.85 | — | — | |
| SCHEMBL20042429 | 0.85 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3306690-B1 | ORGANIC SEMICONDUCTING COMPOUNDS | RAYNERGY TEK INC (TW) | 2022-09-07 | — | — | EP | disclosed |
| US-10411190-B2 | Organic semiconducting compounds | MERCK PATENT GMBH (DE) | 2019-09-10 | — | — | US | disclosed |
| EP-3306690-A1 | ORGANIC SEMICONDUCTING COMPOUNDS | Merck Patent GmbH (DE) | 2018-04-11 | — | — | EP | disclosed |