⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3069346 | 0.72 | CA12 (0.35) | — | |
| SCHEMBL437705 | 0.72 | NPSR1 (0.44) | — | |
| SCHEMBL764607 | 0.69 | — | — | |
| SCHEMBL6439474 | 0.69 | — | — | |
| SCHEMBL3601563 | 0.69 | — | — | |
| SCHEMBL8392396 | 0.67 | — | — | |
| SCHEMBL24462 | 0.67 | — | — | |
| SCHEMBL22824805 | 0.67 | — | — | |
| SCHEMBL22747292 | 0.67 | ALDH1A1 (0.48) | — | |
| SCHEMBL3200940 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8466176-B2 | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE AG (DE) | 2013-06-18 | — | — | US | disclosed |
| US-20110105566-A1 | FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2011-05-05 | — | — | US | disclosed |
| US-5864043-A | CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST | KARL THOMAE GMBH (DE) | 1999-01-26 | — | — | US | disclosed |
| US-5541229-A | ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS | DR. KARL THOMAE GMBH (DE) | 1996-07-30 | — | — | US | disclosed |
| EP-0392317-B1 | Benzimidazoles, drugs containing these compounds and process for their preparation | THOMAE GMBH DR K (DE) | 1996-01-03 | — | — | EP | disclosed |
| US-4618610-A | Triazine derivatives, and pharmaceutical compositions comprising the same | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1986-10-21 | — | — | US | disclosed |
| EP-0123254-A1 | Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1984-10-31 | — | — | EP | disclosed |