⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24034786 | 0.89 | CACNA2D1 (0.32) | — | |
| SCHEMBL24034685 | 0.88 | RXRA (0.32) | — | |
| SCHEMBL26096525 | 0.86 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL24034901 | 0.86 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL24034712 | 0.86 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL30111766 | 0.82 | DRD2 (0.34) | — | |
| SCHEMBL24034787 | 0.82 | DRD2 (0.34) | — | |
| SCHEMBL24034794 | 0.82 | L3MBTL1 (0.45) | — | |
| SCHEMBL24034891 | 0.82 | FFAR2 (0.36) | — | |
| SCHEMBL24034686 | 0.82 | FFAR2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115461337-A | Novel triazolyl derivatives as GABA A alpha 5 PAM | 豪夫迈·罗氏有限公司 | 2022-12-09 | — | — | CN | claimed |
| CN-115461337-A | Novel triazolyl derivatives as GABA A alpha 5 PAM | 豪夫迈·罗氏有限公司 | 2022-12-09 | — | — | CN | disclosed |