⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2642473 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL11595879 | 0.61 | GPR35 (0.33) | — | |
| SCHEMBL23819354 | 0.55 | — | — | |
| SCHEMBL3208731 | 0.52 | TSHR (0.33) | — | |
| SCHEMBL22027683 | 0.48 | ALDH1A1 (0.38) | — | |
| Acetic Acid SCHEMBL28327729 | 0.47 | FFAR3 (0.88) | — | |
| Acetic Acid SCHEMBL19963 | 0.47 | — | — | |
| Bicarbonate SCHEMBL19319 | 0.46 | — | — | |
| SCHEMBL23164220 | 0.45 | GLRA3 (0.48) | — | |
| Acetic Acid SCHEMBL4273550 | 0.45 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1286988-A2 | 1-(H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL DERIVATIVES | Basilea Pharmaceutica AG (CH) | 2003-03-05 | — | — | EP | claimed |
| US-20010047017-A1 | Azole derivatives | HOFFMANN-LA ROCHE, INC. | 2001-11-29 | — | — | US | claimed |
| US-6319933-B1 | 1-(1H-1,2,4-triazol-1-yl)butan-2-ol derivatives; fungicides | BASILEA PHARMACEUTICA AG (CH) | 2001-11-20 | — | — | US | claimed |
| WO-2001079196-A2 | 1-(H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL DERIVATIVES | BASILEA PHARMACEUTICA AG (CH) | 2001-10-25 | — | — | WO | claimed |
| EP-1286988-A2 | 1-(H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL DERIVATIVES | Basilea Pharmaceutica AG (CH) | 2003-03-05 | — | — | EP | disclosed |
| US-20010047017-A1 | Azole derivatives | HOFFMANN-LA ROCHE, INC. | 2001-11-29 | — | — | US | disclosed |
| US-6319933-B1 | 1-(1H-1,2,4-triazol-1-yl)butan-2-ol derivatives; fungicides | BASILEA PHARMACEUTICA AG (CH) | 2001-11-20 | — | — | US | disclosed |
| WO-2001079196-A2 | 1-(H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL DERIVATIVES | BASILEA PHARMACEUTICA AG (CH) | 2001-10-25 | — | — | WO | disclosed |
| US-RE35754-E | FOR TREATING BACTERIAL INFECTIONS | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-03-24 | — | — | US | disclosed |
| US-5710146-A | ANTIBIOTICS FOR BACTERICIDES | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-01-20 | — | — | US | disclosed |
| US-5089490-A | Cephem derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-02-18 | — | — | US | disclosed |
| US-4758556-A | Cephem derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-07-19 | — | — | US | disclosed |
| US-4399131-A | Cephem derivatives | HOECHST AG (DE) | 1983-08-16 | — | — | US | disclosed |
| US-4278793-A | ANTIBIOTICS, BACTERICIDES | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-07-14 | — | — | US | disclosed |