⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12658229 | 0.76 | — | — | |
| SCHEMBL12658026 | 0.70 | NR4A2 (0.48) | — | |
| SCHEMBL12658265 | 0.68 | MAP2K1 (0.46) | — | |
| SCHEMBL12658121 | 0.67 | IGF1R (0.37) | — | |
| SCHEMBL12658283 | 0.59 | TSHR (0.42) | — | |
| SCHEMBL12658115 | 0.58 | NR4A2 (0.45) | — | |
| SCHEMBL12658136 | 0.57 | F7 (0.45) | — | |
| SCHEMBL12658126 | 0.56 | NR4A2 (0.44) | — | |
| SCHEMBL16111747 | 0.55 | LMNA (0.48) | — | |
| SCHEMBL12658205 | 0.53 | NR4A2 (0.44) | — |
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-1711486-B1 | BIS-INDOLE PYRROLES USEFUL AS ANTIMICROBIAL AGENTS | NEREUS PHARMACEUTICALS INC (US) | 2011-05-11 | — | — | EP | disclosed |