⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1122402 | 0.94 | CA1 (0.44) | — | |
| SCHEMBL28953 | 0.94 | — | — | |
| SCHEMBL27828101 | 0.89 | CA1 (0.40) | — | |
| SCHEMBL28790715 | 0.89 | — | — | |
| SCHEMBL27566937 | 0.89 | — | — | |
| SCHEMBL8523081 | 0.89 | — | — | |
| Water SCHEMBL10863045 | 0.89 | CA1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL11010496 | 0.89 | CA1 (0.40) | — | |
| SCHEMBL1649056 | 0.89 | — | — | |
| SCHEMBL27485441 | 0.89 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104893524-A | Antirust coating used for steel structures and preparing method thereof | SUZHOU DEXIANG DECORATION ENGINEERING CO LTD | 2015-09-09 | — | — | CN | claimed |
| CN-105384179-B | The preparation method of the molecular sieves of high activity SAPO 34 | 中国石油化工股份有限公司 | 2017-12-15 | — | — | CN | disclosed |
| CN-105384179-A | Preparation method of high-activity SAPO-34 molecular sieve | CHINA PETROLEUM & CHEM CORP | 2016-03-09 | — | — | CN | disclosed |
| CN-104893524-A | Antirust coating used for steel structures and preparing method thereof | SUZHOU DEXIANG DECORATION ENGINEERING CO LTD | 2015-09-09 | — | — | CN | disclosed |