⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25062990 | 0.79 | — | — | |
| SCHEMBL25062253 | 0.73 | EPHX1 (0.32) | — | |
| SCHEMBL277498 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL10170023 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL9972725 | 0.72 | KDM4E (0.38) | — | |
| SCHEMBL13602670 | 0.72 | — | — | |
| SCHEMBL9281510 | 0.71 | — | — | |
| SCHEMBL1555233 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL9281240 | 0.70 | — | — | |
| SCHEMBL10170322 | 0.69 | TSHR (0.35) | — |
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-20230054997-A1 | COPPER COMPLEXES FOR TREATMENT OF NEURODEGENERATIVE DISORDERS | ALS THERAPY DEVELOPMENT INSTITUTE, | 2023-02-23 | — | — | US | disclosed |
| WO-2022216767-A1 | MASS TAGS FOR LIPID ANALYSES | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2022-10-13 | — | — | WO | disclosed |
| US-20160046625-A1 | BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE | AMGEN INC (US) | 2016-02-18 | — | — | US | disclosed |
| US-20150306086-A1 | MODULATING CERTAIN TYROSINE KINASES | TESARO, INC. | 2015-10-29 | — | — | US | disclosed |
| US-9115127-B2 | Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase | AMGEN INC. (US) | 2015-08-25 | — | — | US | disclosed |
| US-20130217668-A1 | BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE | AMGEN INC. (US) | 2013-08-22 | — | — | US | disclosed |
| US-5498679-A | Process for producing telechelic, branched and star thermoplastic resin polymers | XEROX CORPORATION (US) | 1996-03-12 | — | — | US | disclosed |