⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21766710 | 0.78 | MEN1 (0.32) | — | |
| SCHEMBL21766686 | 0.74 | — | — | |
| SCHEMBL20204673 | 0.70 | — | — | |
| SCHEMBL20442493 | 0.68 | — | — | |
| SCHEMBL9433582 | 0.67 | — | — | |
| SCHEMBL26330469 | 0.65 | — | — | |
| SCHEMBL21921032 | 0.65 | — | — | |
| SCHEMBL12967699 | 0.65 | — | — | |
| SCHEMBL23470238 | 0.64 | — | — | |
| SCHEMBL13849590 | 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-3402785-B1 | 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2020-02-26 | — | — | EP | disclosed |