⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5587 | 0.91 | — | — | |
| Bromide SCHEMBL20292651 | 0.86 | — | — | |
| Lithium SCHEMBL31160309 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL16236402 | 0.82 | — | — | |
| SCHEMBL10708414 | 0.78 | — | — | |
| SCHEMBL11211971 | 0.75 | — | — | |
| Ether SCHEMBL27533638 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL16010086 | 0.70 | — | — | |
| Magnesium Chloride Anhydrous SCHEMBL28220182 | 0.70 | — | — | |
| Tetrahydrofuran SCHEMBL9793688 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105189477-A | Process for preparing n-substituted 1h-pyrazole-5-carboxylic acid compounds and derivatives thereof | BASF SE | 2015-12-23 | — | — | CN | disclosed |