⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20740685 | 0.76 | TGFBR1 (0.34) | — | |
| SCHEMBL24589875 | 0.75 | — | — | |
| SCHEMBL20124728 | 0.70 | — | — | |
| SCHEMBL25610726 | 0.69 | — | — | |
| SCHEMBL20118853 | 0.69 | — | — | |
| SCHEMBL22686499 | 0.67 | — | — | |
| SCHEMBL23084103 | 0.65 | — | — | |
| SCHEMBL19781667 | 0.64 | TSHR (0.30) | — | |
| SCHEMBL14417073 | 0.64 | ALDH1A1 (0.36) | — | |
| SCHEMBL20118858 | 0.64 | — | — |
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-3402782-B1 | 8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2020-07-29 | — | — | EP | disclosed |