⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17061381 | 0.69 | — | — | |
| SCHEMBL10820255 | 0.51 | LTB4R (0.43) | — | |
| SCHEMBL13117931 | 0.51 | LTB4R (0.43) | — | |
| SCHEMBL3217159 | 0.50 | — | — | |
| SCHEMBL31239035 | 0.48 | — | — | |
| SCHEMBL8415482 | 0.42 | — | — | |
| SCHEMBL15683 | 0.42 | — | — | |
| SCHEMBL52429 | 0.42 | — | — | |
| SCHEMBL3708870 | 0.41 | — | — | |
| SCHEMBL1106708 | 0.41 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1931630-B1 | N-SUBSTITUTED 3,4-ALKYLENEDIOXYPYRROLES, ESTER SUBSTITUTED DIHYDROXYPYRROLES AND METHODS FOR SYNTHESIS OF THESE PYRROLES | UNIV FLORIDA (US) | 2010-05-12 | — | — | EP | disclosed |