⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11703563 | 0.81 | — | — | |
| SCHEMBL11617570 | 0.74 | PTGS2 (0.41) | — | |
| SCHEMBL84712 | 0.67 | — | — | |
| SCHEMBL11282790 | 0.65 | — | — | |
| SCHEMBL3772534 | 0.64 | SMARCA2 (0.51) | — | |
| SCHEMBL25060911 | 0.62 | — | — | |
| SCHEMBL418428 | 0.62 | — | — | |
| SCHEMBL1005754 | 0.62 | NPC1 (0.67) | — | |
| Benzene SCHEMBL29129490 | 0.62 | GAA (0.58) | — | |
| SCHEMBL11790115 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3484878-B1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2020-08-19 | — | — | EP | claimed |
| CN-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |