⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17057342 | 1.00 | — | — | |
| SCHEMBL1394033 | 1.00 | — | — | |
| SCHEMBL18636553 | 1.00 | — | — | |
| SCHEMBL12457734 | 1.00 | — | — | |
| SCHEMBL477186 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL31566713 | 0.97 | CHRNB2 (0.46) | — | |
| Hydrochloric Acid SCHEMBL7850055 | 0.97 | CHRNB2 (0.46) | — | |
| Hydrochloric Acid SCHEMBL27195898 | 0.97 | CHRNB2 (0.46) | — | |
| Hydrochloric Acid SCHEMBL7850056 | 0.97 | CHRNB2 (0.46) | — | |
| Hydrochloric Acid SCHEMBL15058446 | 0.97 | CHRNB2 (0.46) | — |
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-4223761-A1 | QUINAZOLINE COMPOUND AND APPLICATION THEREOF | Shanghai Pharmaceuticals Holding Co., Ltd. (CN) | 2023-08-09 | — | — | EP | disclosed |