⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL206082 | 0.79 | — | — | |
| SCHEMBL15064083 | 0.77 | TDP1 (0.39) | — | |
| SCHEMBL8181947 | 0.76 | GCGR (0.31) | — | |
| SCHEMBL8683189 | 0.76 | TAAR1 (0.42) | — | |
| SCHEMBL1868132 | 0.76 | TYR (0.35) | — | |
| SCHEMBL10509760 | 0.76 | — | — | |
| SCHEMBL27794927 | 0.75 | — | — | |
| SCHEMBL1866526 | 0.75 | GHSR (0.37) | — | |
| SCHEMBL6983597 | 0.75 | HTR2A (0.39) | — | |
| SCHEMBL4074532 | 0.74 | — | — |
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-106146487-B | Pyridylmethyl dithiocarbonic acid hetero-aromatic ring alkyl esters compound and its preparation method and application | 北京大学 | 2019-05-10 | — | — | CN | disclosed |
| CN-101541813-B | Oxidation resistant indicator molecules | SENSORS FOR MED & SCIENCE INC | 2013-07-31 | — | — | CN | disclosed |
| CN-102083839-A | Compound (I) | ASTRAZENECA AB | 2011-06-01 | — | — | CN | disclosed |
| CN-101622227-A | Biaryl and biheteroaryl compounds useful in treating iron disorders | XENON PHARMACEUTICALS INC | 2010-01-06 | — | — | CN | disclosed |
| CN-101541813-A | Oxidation resistant indicator molecules | SENSORS FOR MED & SCIENCE INC (US) | 2009-09-23 | — | — | CN | disclosed |