⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20343295 | 0.86 | CYP3A4 (0.31) | — | |
| SCHEMBL20393788 | 0.75 | GPR52 (0.30) | — | |
| SCHEMBL15364391 | 0.72 | ESR1 (0.32) | — | |
| SCHEMBL15364389 | 0.72 | ESR1 (0.32) | — | |
| SCHEMBL5079908 | 0.70 | ESR1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL4456007 | 0.69 | ATM (0.31) | — | |
| SCHEMBL268906 | 0.69 | ESR1 (0.31) | — | |
| SCHEMBL270368 | 0.69 | ESR1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL4456013 | 0.68 | ATM (0.33) | — | |
| SCHEMBL21483399 | 0.67 | — | — |
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-2022267901-A1 | ORGANIC COMPOUND, ELECTRONIC COMPONENT. AND ELECTRONIC DEVICE | 陕西莱特光电材料股份有限公司 | 2022-12-29 | — | — | WO | disclosed |