⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28509037 | 0.97 | CA2 (0.41) | — | |
| SCHEMBL22202248 | 0.89 | TDP1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL30390096 | 0.86 | TDP1 (0.42) | — | |
| SCHEMBL14300072 | 0.85 | CA2 (0.61) | — | |
| SCHEMBL13121888 | 0.83 | CA2 (0.54) | — | |
| SCHEMBL2943980 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL28197919 | 0.81 | CA2 (0.52) | — | |
| SCHEMBL28334022 | 0.81 | CA2 (0.52) | — | |
| SCHEMBL27869376 | 0.81 | CA2 (0.52) | — | |
| SCHEMBL19426824 | 0.80 | CA2 (0.50) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110664633-A | Anticorrosion synergistic composition and application thereof | 烟台东方化学有限公司 | 2020-01-10 | — | — | CN | claimed |
| CN-107635963-A | Guanidine compounds and uses thereof | 伊谬诺米特医疗有限公司 | 2018-01-26 | — | — | CN | claimed |
| CN-107635963-B | Guanidine compounds and uses thereof | 伊谬诺米特医疗有限公司 | 2020-11-20 | — | — | CN | disclosed |
| CN-111511731-A | Olefin compounds as farnesoid X receptor modulators | 百时美施贵宝公司 | 2020-08-07 | — | — | CN | disclosed |
| EP-2934563-B1 | ANTIMICROBIAL COMPOUNDS, THEIR SYNTHESIS AND APPLICATIONS THEREOF | JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENT RESEARCH (IN) | 2020-07-08 | — | — | EP | disclosed |
| CN-110664633-A | Anticorrosion synergistic composition and application thereof | 烟台东方化学有限公司 | 2020-01-10 | — | — | CN | disclosed |
| CN-107635963-A | Guanidine compounds and uses thereof | 伊谬诺米特医疗有限公司 | 2018-01-26 | — | — | CN | disclosed |