⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL194332 | 0.72 | — | — | |
| SCHEMBL28010153 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL10622871 | 0.69 | — | — | |
| SCHEMBL27897759 | 0.67 | — | — | |
| SCHEMBL4328432 | 0.67 | — | — | |
| SCHEMBL27682076 | 0.67 | — | — | |
| SCHEMBL9804918 | 0.67 | — | — | |
| SCHEMBL28807100 | 0.67 | — | — | |
| SCHEMBL2039664 | 0.65 | — | — | |
| SCHEMBL11369602 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107759564-A | Triazole pyridinecarboxylic glycine compounds, its method and medical usage | 中国药科大学 | 2018-03-06 | — | — | CN | disclosed |
| US-20160208269-A1 | COMPOSITIONS AND METHODS FOR PRODUCING BENZYLISOQUINOLINE ALKALOIDS | HERCULES CAPITAL, INC., AS AGENT | 2016-07-21 | — | — | US | disclosed |
| US-9376696-B1 | Compositions and methods for producing benzylisoquinoline alkaloids | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2016-06-28 | — | — | US | disclosed |
| US-5543161-A | CULTURE PRODUCT OF SACCHAROMYCES | BURNS PHILP & COMPANY LIMITED (AU) | 1996-08-06 | — | — | US | disclosed |
| EP-0614968-A2 | Novel yeast strains | BURNS, PHILP & COMPANY LIMITED (AU) | 1994-09-14 | — | — | EP | disclosed |