⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30291271 | 0.83 | HTR2A (0.31) | — | |
| SCHEMBL30291262 | 0.81 | HTR2A (0.31) | — | |
| SCHEMBL23645053 | 0.81 | HTR2A (0.31) | — | |
| SCHEMBL23645286 | 0.78 | OPRM1 (0.35) | — | |
| SCHEMBL23645109 | 0.75 | — | — | |
| SCHEMBL23645219 | 0.69 | TRPA1 (0.34) | — | |
| SCHEMBL23645472 | 0.69 | SIGMAR1 (0.36) | — | |
| SCHEMBL23644323 | 0.69 | HDAC4 (0.32) | — | |
| SCHEMBL28795593 | 0.69 | MCHR2 (0.34) | — | |
| SCHEMBL23645506 | 0.67 | HDAC4 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113087700-B | Spirocyclic tetrahydroquinazolines | 苏州亚盛药业有限公司 | 2023-03-14 | — | — | CN | disclosed |
| US-11312724-B2 | Spirocyclic tetrahydroquinazolines | ASCENTAGE PHARMA (SUZHOU) CO., LTD. | 2022-04-26 | — | — | US | disclosed |
| US-11312724-B2 | Spirocyclic tetrahydroquinazolines | ASCENTAGE PHARMA (SUZHOU) CO., LTD. | 2022-04-26 | — | — | US | disclosed |
| US-20210230174-A1 | SPIROCYCLIC TETRAHYDROQUINAZOLINES | ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) | 2021-07-29 | — | — | US | disclosed |
| US-20210230174-A1 | SPIROCYCLIC TETRAHYDROQUINAZOLINES | ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) | 2021-07-29 | — | — | US | disclosed |
| WO-2021139748-A1 | SPIROCYCLIC TETRAHYDROQUINAZOLINES | ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) | 2021-07-15 | — | — | WO | disclosed |