⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8690370 | 0.77 | APP (0.44) | — | |
| SCHEMBL7999323 | 0.77 | TLR8 (0.52) | — | |
| SCHEMBL6375210 | 0.73 | KMT2A (0.81) | — | |
| SCHEMBL7997254 | 0.73 | HTR6 (0.53) | — | |
| SCHEMBL13436499 | 0.73 | MTNR1A (0.76) | — | |
| SCHEMBL5227141 | 0.72 | TLR7 (0.53) | — | |
| SCHEMBL29555356 | 0.71 | TLR8 (0.67) | — | |
| SCHEMBL4022887 | 0.71 | KMT2A (0.87) | — | |
| SCHEMBL8690377 | 0.71 | TLR7 (0.45) | — | |
| SCHEMBL14340060 | 0.71 | HDAC1 (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2001039871-A | MEDICINAL COMPOSITION CONTAINING ANTAGONIST TO GONADTROPIN-RELEASING HORMONE | MERCK & CO INC | 2001-02-13 | — | — | JP | disclosed |