⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL268312 | 0.84 | — | — | |
| SCHEMBL2180851 | 0.84 | TSHR (0.42) | — | |
| Hydrogen Sulfide SCHEMBL6901861 | 0.81 | TSHR (0.40) | — | |
| Hydrogen Sulfide SCHEMBL6902763 | 0.81 | TSHR (0.40) | — | |
| SCHEMBL11140248 | 0.81 | TSHR (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL1157593 | 0.81 | TSHR (0.40) | — | |
| Hydrogen Sulfide SCHEMBL7976995 | 0.81 | TSHR (0.40) | — | |
| Zinc Ion SCHEMBL2984146 | 0.79 | TSHR (0.38) | — | |
| SCHEMBL12808517 | 0.78 | CYP3A4 (0.33) | — | |
| SCHEMBL12808429 | 0.78 | CYP3A4 (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 |
|---|---|---|---|---|---|---|---|
| CN-105960402-B | Microbicidal heterobicyclic derivatives | 先正达参股股份有限公司 | 2019-06-28 | — | — | CN | disclosed |
| CN-105960402-A | Microbicidal heterobicyclic derivatives | 先正达参股股份有限公司 | 2016-09-21 | — | — | CN | disclosed |