⚠ 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 | |
|---|---|---|---|---|
| Boric Acid SCHEMBL28428965 | 0.94 | — | — | |
| SCHEMBL9418538 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL31229139 | 0.67 | TSHR (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL28258729 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL852394 | 0.65 | TSHR (0.38) | — | |
| SCHEMBL3422574 | 0.65 | TSHR (0.38) | — | |
| SCHEMBL7263307 | 0.65 | TSHR (0.33) | — | |
| Bicarbonate SCHEMBL28488934 | 0.65 | TSHR (0.42) | — | |
| SCHEMBL28151308 | 0.64 | TP53 (0.42) | — | |
| SCHEMBL24361245 | 0.64 | TSHR (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0316893-B1 | Condensed acetoacetic ester-titanium chelates and process for their preparation | HUELS CHEMISCHE WERKE AG (DE) | 1994-01-19 | — | — | EP | claimed |
| CN-109153643-B | Substituted indole MCL-1 inhibitors | 范德比尔特大学 | 2022-06-21 | — | — | CN | disclosed |
| CN-113710671-A | Cyclic molecules as inhibitors of bruton's tyrosine kinase | 明慧医药（上海）有限公司 | 2021-11-26 | — | — | CN | disclosed |