⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28179949 | 0.77 | — | — | |
| SCHEMBL28208090 | 0.72 | CYP2D6 (0.39) | — | |
| SCHEMBL27898671 | 0.70 | L3MBTL1 (0.43) | — | |
| SCHEMBL28031187 | 0.70 | LMNA (0.40) | — | |
| SCHEMBL27984234 | 0.70 | PARP15 (0.42) | — | |
| SCHEMBL25840171 | 0.70 | PARP15 (0.36) | — | |
| SCHEMBL2842864 | 0.69 | — | — | |
| SCHEMBL14480025 | 0.64 | — | — | |
| SCHEMBL6642025 | 0.61 | — | — | |
| SCHEMBL9183054 | 0.60 | — | — |
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-109689649-A | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |
| CN-109689647-A | The compound that bicyclic heteroaryl replaces | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |