⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9431843 | 0.75 | — | — | |
| SCHEMBL118308 | 0.67 | — | — | |
| SCHEMBL49346 | 0.67 | — | — | |
| SCHEMBL291422 | 0.67 | — | — | |
| SCHEMBL277971 | 0.67 | — | — | |
| SCHEMBL4561249 | 0.67 | — | — | |
| Bicarbonate SCHEMBL18420439 | 0.67 | — | — | |
| SCHEMBL2093642 | 0.67 | — | — | |
| SCHEMBL661919 | 0.67 | — | — | |
| SCHEMBL10603913 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1471921-B1 | COUNTERACTING BIOPROSTHETIC CALCIFICATION | PHILADELPHIA CHILDREN HOSPITAL (US) | 2009-03-11 | — | — | EP | claimed |
| WO-2023173229-A1 | SALTS OF C4-CARBOXYLIC ACID- AND C4-CARBONOTHIOATE-SUBSTITUTED TRYPTAMINE DERIVATIVES AND METHODS OF USING | Enveric Biosciences Canada Inc. (CA) | 2023-09-21 | — | — | WO | disclosed |
| CN-115124573-A | Novel cytotoxic molecules for use in cell binding molecule-drug conjugates | 杭州多禧生物科技有限公司 | 2022-09-30 | — | — | CN | disclosed |
| CN-101107304-B | Method for shaping stabilizer melts into pastilles, shaped bodies produced accordingly and the use thereof | BAERLOCHER GMBH | 2011-06-08 | — | — | CN | disclosed |
| CN-101107304-A | Method for shaping stabilizer melts into pastilles, shaped bodies produced accordingly and the use thereof | BAERLOCHER GMBH (DE) | 2008-01-16 | — | — | CN | disclosed |
| CN-1100045-C | N-cyanoaryl nitrogen heterocycles with sulphur-containing groupings | BAYER AG (DE) | 2003-01-29 | — | — | CN | disclosed |
| CN-1142818-A | N-cyanoaryl nitrogen heterocycles with sulphur-containing groupings | BAYER AG (DE) | 1997-02-12 | — | — | CN | disclosed |
| EP-0165534-A2 | S-(carbamoyl-phenylselenyl) derivatives of glutathion and of amino mercaptocarboxylic acids, process for their preparation and pharmaceutical preparations containing them | A. Nattermann & Cie. GmbH (DE) | 1985-12-27 | — | — | EP | disclosed |