⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7659758 | 0.78 | — | — | |
| SCHEMBL28462459 | 0.74 | — | — | |
| SCHEMBL27553084 | 0.74 | — | — | |
| SCHEMBL7657168 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL27624140 | 0.72 | — | — | |
| SCHEMBL27553085 | 0.71 | — | — | |
| SCHEMBL7663904 | 0.67 | CES2 (0.36) | — | |
| SCHEMBL28424172 | 0.67 | — | — | |
| SCHEMBL7659962 | 0.66 | — | — | |
| SCHEMBL4315658 | 0.61 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108047013-A | A kind of synthetic method of isoamyl olefine aldehydr | 万华化学集团股份有限公司 | 2018-05-18 | — | — | CN | claimed |
| CN-102797043-B | Medicinal molecular fragment library and construction process thereof | Tianli (Tianjin) Technology Co., Ltd. (CN) | 2015-11-25 | — | — | CN | claimed |
| CN-109476606-A | Benzosultams and analogs and their use as fungicides | 拜耳作物科学股份公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-108349897-A | Trisubstituted silylphenoxyheterocycles and analogs | 拜耳作物科学股份公司 | 2018-07-31 | — | — | CN | disclosed |
| CN-108047013-A | A kind of synthetic method of isoamyl olefine aldehydr | 万华化学集团股份有限公司 | 2018-05-18 | — | — | CN | disclosed |
| CN-102797043-B | Medicinal molecular fragment library and construction process thereof | Tianli (Tianjin) Technology Co., Ltd. (CN) | 2015-11-25 | — | — | CN | disclosed |
| CN-102516253-A | Method for synthesizing 3,4-dihydro-2H-pyrano[3,2-b]pyridine | CGENE TECH SUZHOU CHINA CO LTD | 2012-06-27 | — | — | CN | disclosed |
| CN-1993326-A | Heterocyclic acetophenone potentiators of metabotropic glutamate receptors | MERCK & CO INC (US) | 2007-07-04 | — | — | CN | disclosed |