⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14722063 | 0.89 | — | — | |
| SCHEMBL29859818 | 0.89 | — | — | |
| SCHEMBL1357 | 0.89 | — | — | |
| Fluoride SCHEMBL8137697 | 0.80 | — | — | |
| SCHEMBL1485806 | 0.80 | — | — | |
| Hydrogen Sulfide SCHEMBL1485812 | 0.80 | — | — | |
| SCHEMBL3248062 | 0.80 | — | — | |
| Methane SCHEMBL1005333 | 0.80 | — | — | |
| SCHEMBL3246182 | 0.80 | — | — | |
| SCHEMBL668487 | 0.80 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022143501-A1 | AZASPIROCYCLIC AND POLYCYCLIC ANDROGRAPHOLIDE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 深圳湾实验室 | 2022-07-07 | — | — | WO | disclosed |
| US-8293758-B2 | Substituted spirocyclic cyclohexane derivatives | GRUNENTHAL GMBH (DE) | 2012-10-23 | — | — | US | disclosed |
| US-20090247561-A1 | SUBSTITUTED SPIROCYCLIC CYCLOHEXANE DERIVATIVES | GRUNENTHAL GMBH (DE) | 2009-10-01 | — | — | US | disclosed |
| CN-101370852-A | Process for producing polytrimethylene ether glycol | DU PONT (US) | 2009-02-18 | — | — | CN | disclosed |