⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20733584 | 0.85 | — | — | |
| SCHEMBL20723420 | 0.80 | — | — | |
| SCHEMBL19104640 | 0.77 | ESR1 (0.33) | — | |
| SCHEMBL842186 | 0.77 | ESR2 (0.34) | — | |
| SCHEMBL18665473 | 0.74 | — | — | |
| SCHEMBL14868190 | 0.74 | — | — | |
| SCHEMBL21094556 | 0.74 | ESR1 (0.30) | — | |
| SCHEMBL1817115 | 0.72 | MAPT (0.36) | — | |
| SCHEMBL20163207 | 0.72 | MAPT (0.36) | — | |
| SCHEMBL19636785 | 0.72 | HSD17B1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3665729-B1 | ORGANIC SEMICONDUCTING POLYMER | RAYNERGY TEK INC (TW) | 2021-07-07 | — | — | EP | disclosed |
| WO-2019030382-A1 | ORGANIC SEMICONDUCTING POLYMER | MERCK PATENT GMBH (DE) | 2019-02-14 | — | — | WO | disclosed |