⚠ 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 | |
|---|---|---|---|---|
| Bromomethane SCHEMBL11086089 | 0.91 | — | — | |
| Bromomethane SCHEMBL3667 | 0.82 | — | — | |
| Methyl Alcohol SCHEMBL9185715 | 0.82 | — | — | |
| Methyl Alcohol SCHEMBL5074979 | 0.82 | — | — | |
| Methyl Alcohol SCHEMBL3443568 | 0.82 | — | — | |
| Methyl Alcohol SCHEMBL370824 | 0.82 | — | — | |
| Methyl Alcohol SCHEMBL9807478 | 0.73 | — | — | |
| Methyl Alcohol SCHEMBL29152275 | 0.73 | — | — | |
| Methyl Alcohol SCHEMBL10869705 | 0.73 | — | — | |
| Methyl Alcohol SCHEMBL6933193 | 0.73 | — | — |
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-110337294-A | Pyrrolopyrimidines as CFTR potentiators | 囊性纤维化基金会治疗公司 | 2019-10-15 | — | — | CN | disclosed |
| CN-110300589-A | Bicyclic different heteroaryl derivative as CFTR synergist | 囊性纤维化基金会治疗公司 | 2019-10-01 | — | — | CN | disclosed |
| CN-103476258-B | Novel cyclic azabenzimidazole derivatives useful as antidiabetic agents | 默沙东公司 | 2017-04-26 | — | — | CN | disclosed |