⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL554111 | 0.84 | ALDH1A1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL2935026 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL11114893 | 0.80 | — | — | |
| SCHEMBL8650798 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL6640631 | 0.78 | GAA (0.44) | — | |
| SCHEMBL11121210 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL21737763 | 0.78 | NPSR1 (0.46) | — | |
| SCHEMBL15884500 | 0.76 | CYP2D6 (0.47) | — | |
| SCHEMBL129683 | 0.76 | — | — | |
| SCHEMBL9397896 | 0.76 | ALDH1A1 (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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0052819-B1 | PROCESS FOR PREPARING AMIDINECARBOXYLIC ACIDS | UBE INDUSTRIES, LTD. (JP) | 1984-02-29 | — | — | EP | claimed |
| US-4375554-A | REACTING AN ALKOXYIMINOACETIC ACID ESTER WITH A PRIMARY AMINE | UBE INDUSTRIES LTD. (JP) | 1983-03-01 | — | — | US | claimed |
| EP-0052819-A1 | Process for preparing amidinecarboxylic acids | UBE INDUSTRIES, LTD. (JP) | 1982-06-02 | — | — | EP | claimed |
| JP-57085352-A | — | — | None | — | — | JP | disclosed |
| JP-57085351-A | — | — | None | — | — | JP | disclosed |
| CN-103012313-A | Synthetic method of aminothiazoly loximate | SHANDONG XINQUAN PHARMACEUTICAL CO LTD | 2013-04-03 | — | — | CN | disclosed |
| US-7683097-B2 | Topoisomerase inhibitors | Propharmacon Inc. (US) | 2010-03-23 | — | — | US | disclosed |
| US-20070004701-A1 | Topoisomerase inhibitors | PROPHARMACON, INC. (US) | 2007-01-04 | — | — | US | disclosed |
| EP-0052819-B1 | PROCESS FOR PREPARING AMIDINECARBOXYLIC ACIDS | UBE INDUSTRIES, LTD. (JP) | 1984-02-29 | — | — | EP | disclosed |
| US-4375554-A | REACTING AN ALKOXYIMINOACETIC ACID ESTER WITH A PRIMARY AMINE | UBE INDUSTRIES LTD. (JP) | 1983-03-01 | — | — | US | disclosed |
| EP-0052819-A1 | Process for preparing amidinecarboxylic acids | UBE INDUSTRIES, LTD. (JP) | 1982-06-02 | — | — | EP | disclosed |
| JP-S5785352-A | PREPARATION OF N-ARYLAMIDINECARBOXYLIC ACID | UBE IND LTD | 1982-05-28 | — | — | JP | disclosed |
| JP-S5785351-A | PREPARATION OF AMIDINECARBOXYLIC ACID | UBE IND LTD | 1982-05-28 | — | — | JP | disclosed |