⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14026253 | 0.70 | ABAT (0.32) | — | |
| SCHEMBL12646071 | 0.67 | — | — | |
| SCHEMBL14535145 | 0.67 | — | — | |
| SCHEMBL19215291 | 0.65 | NOS3 (0.30) | — | |
| SCHEMBL7002117 | 0.63 | — | — | |
| SCHEMBL11543104 | 0.62 | — | — | |
| SCHEMBL19397263 | 0.61 | — | — | |
| SCHEMBL1741624 | 0.59 | — | — | |
| SCHEMBL21294084 | 0.59 | — | — | |
| SCHEMBL2623672 | 0.57 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3160971-B1 | METHOD FOR SELECTIVE DETECTION AND ESTIMATION OF HISTIDINE AND CYSTEIN | COUNCIL SCIENT IND RES (IN) | 2019-05-15 | — | — | EP | disclosed |
| US-10155776-B2 | Method for selective detection and estimation of histidine and cystein | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2018-12-18 | — | — | US | disclosed |
| US-20170240568-A1 | METHOD FOR SELECTIVE DETECTION AND ESTIMATION OF HISTIDINE AND CYSTEIN | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2017-08-24 | — | — | US | disclosed |
| EP-3160971-A1 | METHOD FOR SELECTIVE DETECTION AND ESTIMATION OF HISTIDINE AND CYSTEIN | Council of Scientific and Industrial Research (IN) | 2017-05-03 | — | — | EP | disclosed |
| WO-2015198341-A1 | METHOD FOR SELECTIVE DETECTION AND ESTIMATION OF HISTIDINE AND CYSTEIN | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2015-12-30 | — | — | WO | disclosed |