⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8698005 | 0.75 | TLR7 (0.46) | — | |
| SCHEMBL11257221 | 0.72 | — | — | |
| SCHEMBL7999323 | 0.72 | TLR8 (0.52) | — | |
| SCHEMBL11884643 | 0.71 | ADRB2 (0.80) | — | |
| SCHEMBL7411563 | 0.70 | ADRB2 (0.60) | — | |
| SCHEMBL7997254 | 0.70 | HTR6 (0.53) | — | |
| SCHEMBL29555356 | 0.69 | TLR8 (0.67) | — | |
| SCHEMBL16549972 | 0.69 | ADRB2 (0.72) | — | |
| SCHEMBL16549975 | 0.69 | ADRB2 (0.72) | — | |
| SCHEMBL11086942 | 0.69 | — | — |
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-2000186039-A | MEDICAMENT COMPOSITION INCLUDING GONADOTROPIN-RELEASING HORMONE ANTAGONIST | MERCK & CO INC | 2000-07-04 | — | — | JP | disclosed |