⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28603430 | 0.76 | HTR2A (0.35) | — | |
| SCHEMBL23645472 | 0.76 | SIGMAR1 (0.36) | — | |
| SCHEMBL28919761 | 0.75 | SIGMAR1 (0.34) | — | |
| SCHEMBL28603604 | 0.74 | GRM4 (0.30) | — | |
| SCHEMBL29793198 | 0.71 | SIGMAR1 (0.33) | — | |
| SCHEMBL19828185 | 0.71 | SIGMAR1 (0.33) | — | |
| SCHEMBL30291391 | 0.67 | SIGMAR1 (0.38) | — | |
| SCHEMBL22507670 | 0.66 | CA1 (0.32) | — | |
| SCHEMBL2359795 | 0.65 | HTR2C (0.41) | — | |
| SCHEMBL3400338 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113087700-A | Spirocyclic tetrahydroquinazolines | 苏州亚盛药业有限公司 | 2021-07-09 | — | — | CN | disclosed |