⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12213788 | 1.00 | — | — | |
| SCHEMBL23191454 | 0.86 | — | — | |
| SCHEMBL13479902 | 0.81 | — | — | |
| SCHEMBL11893277 | 0.81 | — | — | |
| SCHEMBL17151766 | 0.78 | — | — | |
| SCHEMBL21961603 | 0.76 | — | — | |
| SCHEMBL21946980 | 0.76 | — | — | |
| SCHEMBL23792968 | 0.76 | — | — | |
| SCHEMBL14407122 | 0.76 | INPP5A (0.33) | — | |
| SCHEMBL17809823 | 0.76 | — | — |
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-3497091-B1 | CONDENSED THIOPHENE DERIVATIVES USEFUL AS NAPI-IIB INHIBITORS | LILLY CO ELI (US) | 2020-10-07 | — | — | EP | disclosed |