⚠ 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 | |
|---|---|---|---|---|
| Cyanide SCHEMBL21222855 | 0.91 | — | — | |
| Cyclopentanamine SCHEMBL27699239 | 0.88 | — | — | |
| SCHEMBL3432080 | 0.87 | — | — | |
| SCHEMBL16479 | 0.87 | — | — | |
| Cyclohexylamine SCHEMBL27947339 | 0.85 | — | — | |
| Cyclooctanamine SCHEMBL27758196 | 0.85 | THRB (0.41) | — | |
| Methane SCHEMBL25358315 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL338818 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL4736873 | 0.82 | — | — | |
| SCHEMBL3181298 | 0.82 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109563085-A | piperidine CXCR7 receptor modulators | 爱杜西亚药品有限公司 | 2019-04-02 | — | — | CN | disclosed |
| CN-109121414-A | Benzopyrazole compounds and analogs thereof | 拜奥克里斯特制药公司 | 2019-01-01 | — | — | CN | disclosed |
| CN-104981470-B | Amino-substituted imidazo[1,2-a]pyridinecarboxamides and their use | 拜耳制药股份公司 | 2017-04-19 | — | — | CN | disclosed |