⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22421 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL5903557 | 0.97 | MEN1 (0.54) | — | |
| Ammonia Solution, Strong SCHEMBL27638312 | 0.97 | — | — | |
| Methyl Alcohol SCHEMBL28319739 | 0.97 | NPC1 (0.56) | — | |
| Water SCHEMBL8859982 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL7383830 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28793085 | 0.95 | MEN1 (0.52) | — | |
| Boric Acid SCHEMBL27947486 | 0.91 | NPC1 (0.50) | — | |
| Methylene Chloride SCHEMBL28277359 | 0.91 | CXCR4 (0.48) | — | |
| SCHEMBL27699723 | 0.89 | MEN1 (0.47) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240360157-A1 | TYK2 INHIBITORS | BIOGEN MA INC. | 2024-10-31 | — | — | US | disclosed |
| EP-3638675-B1 | DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS | BAYER AG (DE) | 2024-04-17 | — | — | EP | disclosed |
| US-20230047816-A1 | PFKFB3 INHIBITORS AND THEIR USES | GERO PTE. LTD. (SG) | 2023-02-16 | — | — | US | disclosed |
| EP-4121046-A1 | TARGETED DEGRADERS OF ABERRANT TAU BASED ON THE PET TRACER PBB3 | Dana-Farber Cancer Institute, Inc. (US) | 2023-01-25 | — | — | EP | disclosed |
| US-20220298142-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) | 2022-09-22 | — | — | US | disclosed |
| CN-112279837-B | Pyrazine compounds and uses thereof | 迪哲(江苏)医药股份有限公司 | 2022-08-09 | — | — | CN | disclosed |
| US-11306071-B2 | Heterocyclic compounds as adenosine antagonists | NUVATION BIO INC. (US) | 2022-04-19 | — | — | US | disclosed |