⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL6785439 | 1.00 | — | — | |
| SCHEMBL6136538 | 0.85 | — | — | |
| Trifluoroacetic Acid SCHEMBL6703829 | 0.77 | CHRNB2 (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL6792658 | 0.77 | KDM4E (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL6703765 | 0.77 | KDM4E (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL6781867 | 0.77 | CHRNB2 (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL6704433 | 0.75 | KDM4E (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL28527207 | 0.70 | HRH4 (0.32) | — | |
| SCHEMBL4773141 | 0.68 | FFAR1 (0.36) | — | |
| SCHEMBL6781869 | 0.68 | CHRNB2 (0.32) | — |
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-6794405-B2 | Alicyclic imidazoles as H3 agents | MERCK & CO., INC. | 2004-09-21 | — | — | US | disclosed |
| US-20040029943-A1 | Novel alicylic imidazoles as H3 agents | MERCK SHARP & DOHME CORP. | 2004-02-12 | — | — | US | disclosed |
| US-20020042400-A1 | Novel alicyclic imidazoles as H3 agents | GLIATECH, INC. | 2002-04-11 | — | — | US | disclosed |