⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL121154 | 0.97 | — | — | |
| Bromide SCHEMBL28986398 | 0.95 | — | — | |
| Iodide SCHEMBL28629698 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL11377269 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL3194041 | 0.95 | — | — | |
| SCHEMBL29114986 | 0.88 | TAAR1 (0.56) | — | |
| Thiocyanic Acid SCHEMBL29252986 | 0.84 | TAAR1 (0.52) | — | |
| Anthracene SCHEMBL29115685 | 0.84 | TAAR1 (0.52) | — | |
| Acetic Acid SCHEMBL4752723 | 0.83 | CYP2C19 (0.53) | — | |
| Trifluoroacetic Acid SCHEMBL6383554 | 0.78 | CYP2C19 (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116390609-A | Perovskite thin film, preparation method thereof and perovskite solar cell | 中国长江三峡集团有限公司 | 2023-07-04 | — | — | CN | claimed |
| CN-116390609-A | Perovskite thin film, preparation method thereof and perovskite solar cell | 中国长江三峡集团有限公司 | 2023-07-04 | — | — | CN | disclosed |