⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3081599 | 0.75 | — | — | |
| SCHEMBL3081597 | 0.67 | — | — | |
| SCHEMBL21748 | 0.67 | ALOX5 (0.42) | — | |
| SCHEMBL26300548 | 0.67 | — | — | |
| SCHEMBL3077499 | 0.67 | NOS3 (0.36) | — | |
| SCHEMBL2703588 | 0.67 | ALDH1A1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL13519387 | 0.65 | ALOX5 (0.41) | — | |
| SCHEMBL27729016 | 0.65 | ALOX5 (0.41) | — | |
| SCHEMBL7078801 | 0.63 | ALOX5 (0.34) | — | |
| SCHEMBL6830601 | 0.63 | ALDH1A1 (0.37) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108164505-B | Synthesis method of imatinib | 扬州大学 | 2020-11-03 | — | — | CN | claimed |
| CN-106432739-B | A method of synthesis high polymer containing selenium | 扬州大学 | 2019-03-29 | — | — | CN | claimed |
| CN-108164505-A | A kind of synthetic method of Imatinib | 扬州大学 | 2018-06-15 | — | — | CN | claimed |
| CN-106432739-A | Method for synthesizing selenium-containing high polymer | 扬州大学 | 2017-02-22 | — | — | CN | claimed |
| CN-108164505-B | Synthesis method of imatinib | 扬州大学 | 2020-11-03 | — | — | CN | disclosed |
| CN-107088439-B | The preparation method of catalyst for 2- alkylene cyclobutanone hydrogenation reduction | 扬州大学 | 2019-07-26 | — | — | CN | disclosed |
| CN-106432739-B | A method of synthesis high polymer containing selenium | 扬州大学 | 2019-03-29 | — | — | CN | disclosed |
| CN-106432739-B | A method of synthesis high polymer containing selenium | 扬州大学 | 2019-03-29 | — | — | CN | disclosed |
| CN-108164505-A | A kind of synthetic method of Imatinib | 扬州大学 | 2018-06-15 | — | — | CN | disclosed |
| CN-107088439-A | Preparation method for the catalyst of 2 alkylene cyclobutanone hydrogenation reductions | 扬州大学 | 2017-08-25 | — | — | CN | disclosed |
| CN-106432739-A | Method for synthesizing selenium-containing high polymer | 扬州大学 | 2017-02-22 | — | — | CN | disclosed |