⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19015970 | 0.73 | TSHR (0.31) | — | |
| SCHEMBL9961163 | 0.72 | CA12 (0.31) | — | |
| SCHEMBL13397339 | 0.69 | — | — | |
| SCHEMBL23896365 | 0.67 | — | — | |
| SCHEMBL9961149 | 0.67 | CA12 (0.32) | — | |
| SCHEMBL27854431 | 0.65 | TSHR (0.40) | — | |
| SCHEMBL10516014 | 0.64 | — | — | |
| SCHEMBL20576997 | 0.64 | — | — | |
| SCHEMBL2589071 | 0.64 | TSHR (0.48) | — | |
| SCHEMBL1661431 | 0.62 | — | — |
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-2288615-B1 | SELECTIVE CASPASE INHIBITORS AND USES THEREOF | GENESIS TECH LTD (BB) | 2017-06-21 | — | — | EP | disclosed |