⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28279048 | 0.78 | — | — | |
| SCHEMBL28103152 | 0.78 | — | — | |
| SCHEMBL3215267 | 0.78 | — | — | |
| SCHEMBL22520015 | 0.75 | POLB (0.31) | — | |
| SCHEMBL22519854 | 0.75 | HTR2A (0.30) | — | |
| SCHEMBL9129495 | 0.75 | KDM4E (0.30) | — | |
| SCHEMBL16642349 | 0.74 | — | — | |
| SCHEMBL30493775 | 0.73 | KDM4E (0.32) | — | |
| SCHEMBL27545251 | 0.72 | NOS2 (0.30) | — | |
| SCHEMBL27550673 | 0.72 | NOS2 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11691963-B2 | 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors | AJAX THERAPEUTICS, INC. (US) | 2023-07-04 | — | — | US | disclosed |
| US-20220411403-A1 | 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS | AJAX THERAPEUTICS, INC. | 2022-12-29 | — | — | US | disclosed |
| CN-108137639-A | Nicotinamide mononucleotide derivative and application thereof | 麦德龙国际生物科技有限责任公司 | 2018-06-08 | — | — | CN | disclosed |