⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9547112 | 0.97 | — | — | |
| SCHEMBL12019022 | 0.73 | KDM4E (0.44) | — | |
| SCHEMBL3820394 | 0.72 | NOS3 (0.33) | — | |
| SCHEMBL11629221 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL11624011 | 0.69 | — | — | |
| SCHEMBL6250482 | 0.69 | — | — | |
| SCHEMBL13379707 | 0.69 | — | — | |
| Iodide SCHEMBL3822790 | 0.67 | — | — | |
| SCHEMBL11233316 | 0.67 | NOS3 (0.50) | — | |
| Ethylisothiourea SCHEMBL160501 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4190402-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF, USE THEREOF, AND INTERMEDIATE THEREOF | FUJIFILM Corporation (JP) | 2023-06-07 | — | — | EP | disclosed |
| US-11524966-B1 | Carboxamides as ubiquitin-specific protease inhibitors | VALO HEALTH, INC. (US) | 2022-12-13 | — | — | US | disclosed |
| EP-3426653-B1 | BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY | AC IMMUNE SA (CH) | 2021-12-15 | — | — | EP | disclosed |
| WO-2021040356-A1 | C-NUCLEOSIDES, C-NUCLEOTIDES AND THEIR ANALOGS, EQUIVALENTS AND PRODRUGS THEREOF FOR ECTONUCLEOTIDASE INHIBITION | KAINOS MEDICINE, INC. (KR) | 2021-03-04 | — | — | WO | disclosed |
| WO-2019195063-A1 | AZA-BENZOTHIOPHENE COMPOUNDS AS STING AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2019-10-10 | — | — | WO | disclosed |