⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4851188 | 0.77 | ADRA2C (0.47) | — | |
| SCHEMBL22402987 | 0.74 | — | — | |
| SCHEMBL3771334 | 0.71 | TDP1 (0.33) | — | |
| SCHEMBL9419598 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL21293463 | 0.67 | — | — | |
| SCHEMBL16673433 | 0.66 | — | — | |
| SCHEMBL21293426 | 0.66 | — | — | |
| SCHEMBL10641635 | 0.65 | — | — | |
| SCHEMBL8579012 | 0.64 | — | — | |
| SCHEMBL16232418 | 0.64 | TDP1 (0.40) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7368464-B2 | Preparation for the production of 1,2,4-triazolylmethyl-oxiranes | BASF AKTIENGESELLSCHAFT (DE) | 2008-05-06 | — | — | US | disclosed |
| CN-100345841-C | Preparation for the production of 1,2,4-triazolymethyl-oxiranes | BASF AG (DE) | 2007-10-31 | — | — | CN | disclosed |
| CN-100345841-C | Preparation for the production of 1,2,4-triazolymethyl-oxiranes | BASF AG (DE) | 2007-10-31 | — | — | CN | disclosed |
| EP-1517906-B1 | METHOD FOR THE PRODUCTION OF 1,2,4-TRIAZOLYLMETHYL-OXIRANES | BASF AG (DE) | 2007-03-28 | — | — | EP | disclosed |
| CN-1662525-A | Preparation for the production of 1,2,4-triazolymethyl-oxiranes | BASF AG (DE) | 2005-08-31 | — | — | CN | disclosed |
| CN-1662525-A | Preparation for the production of 1,2,4-triazolymethyl-oxiranes | BASF AG (DE) | 2005-08-31 | — | — | CN | disclosed |
| US-20050176967-A1 | Preparation for the production of 1,2,4-triazolymethyl-oxiranes | BASF AKTIENGESELLSCHAFT (DE) | 2005-08-11 | — | — | US | disclosed |
| EP-1517906-A1 | METHOD FOR THE PRODUCTION OF 1,2,4-TRIAZOLYLMETHYL-OXIRANES | BASF AKTIENGESELLSCHAFT (DE) | 2005-03-30 | — | — | EP | disclosed |
| WO-2004000835-A1 | METHOD FOR THE PRODUCTION OF 1,2,4-TRIAZOLYLMETHYL-OXIRANES | BASF AKTIENGESELLSCHAFT (DE) | 2003-12-31 | — | — | WO | disclosed |