⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19783064 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL19783660 | 0.79 | STING1 (0.32) | — | |
| SCHEMBL21379450 | 0.75 | STING1 (0.36) | — | |
| SCHEMBL19783119 | 0.75 | STING1 (0.36) | — | |
| SCHEMBL19783123 | 0.74 | S1PR4 (0.32) | — | |
| SCHEMBL19783208 | 0.73 | F2RL3 (0.44) | — | |
| SCHEMBL21379653 | 0.73 | F2RL3 (0.44) | — | |
| SCHEMBL21379614 | 0.72 | F2RL3 (0.56) | — | |
| SCHEMBL19782995 | 0.72 | F2RL3 (0.56) | — | |
| SCHEMBL19783084 | 0.72 | PKM (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |
| US-20210163465-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2021-06-03 | — | — | US | disclosed |
| US-20190292176-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BISTOL MYERS SQUIBB COMPANY (US) | 2019-09-26 | — | — | US | disclosed |
| WO-2018013774-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-01-18 | — | — | WO | disclosed |