⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4277611 | 0.71 | ANPEP (0.43) | — | |
| SCHEMBL4277617 | 0.71 | ANPEP (0.43) | — | |
| Hydrochloric Acid SCHEMBL2948302 | 0.69 | ANPEP (0.42) | — | |
| Hydrochloric Acid SCHEMBL2948299 | 0.69 | ANPEP (0.42) | — | |
| SCHEMBL1989890 | 0.69 | ESR1 (0.34) | — | |
| SCHEMBL10325573 | 0.69 | ESR1 (0.34) | — | |
| SCHEMBL1989889 | 0.69 | ESR1 (0.34) | — | |
| SCHEMBL152273 | 0.68 | TDP1 (0.32) | — | |
| SCHEMBL13067944 | 0.67 | LMNA (0.33) | — | |
| SCHEMBL1050978 | 0.67 | BRD4 (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 |
|---|---|---|---|---|---|---|---|
| EP-3760681-A1 | CONDUCTIVE WIRING MATERIAL COMPOSITION, CONDUCTIVE WIRING SUBSTRATE AND METHOD FOR PRODUCING CONDUCTIVE WIRING SUBSTRATE | Shin-Etsu Chemical Co., Ltd. (JP) | 2021-01-06 | — | — | EP | disclosed |