⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8772867 | 0.89 | THRB (0.40) | — | |
| SCHEMBL2037322 | 0.84 | — | — | |
| SCHEMBL27348473 | 0.84 | — | — | |
| SCHEMBL21618241 | 0.83 | — | — | |
| SCHEMBL11183999 | 0.80 | DNM1 (0.33) | — | |
| SCHEMBL12119866 | 0.78 | — | — | |
| SCHEMBL133831 | 0.75 | OPRM1 (0.38) | — | |
| SCHEMBL1297783 | 0.72 | THRB (0.40) | — | |
| SCHEMBL22697254 | 0.72 | THRB (0.35) | — | |
| SCHEMBL14032073 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0625967-B1 | N,N'-SUBSTITUTED IMIDOCARBONIMIDIC DIAMIDES DERIVED FROM HYDROXYLAMINES | JACOBUS PHARMA CO INC (US) | 1997-08-27 | — | — | EP | disclosed |
| US-5322858-A | Antimicrobial, antiparasitic agents | JACOBUS PHARMACEUTICAL CO. INC. (US) | 1994-06-21 | — | — | US | disclosed |