⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26098521 | 0.94 | — | — | |
| SCHEMBL24034897 | 0.93 | ACACB (0.30) | — | |
| SCHEMBL24034609 | 0.91 | SCN9A (0.33) | — | |
| SCHEMBL24034895 | 0.88 | PDE3B (0.31) | — | |
| SCHEMBL26095999 | 0.88 | — | — | |
| SCHEMBL24034896 | 0.88 | — | — | |
| SCHEMBL28906127 | 0.86 | MCHR1 (0.34) | — | |
| SCHEMBL28906121 | 0.82 | CCNC (0.31) | — | |
| SCHEMBL26097386 | 0.80 | MCHR1 (0.34) | — | |
| SCHEMBL28906125 | 0.79 | MCHR1 (0.32) | — |
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 |