⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8491984 | 0.76 | — | — | |
| SCHEMBL9568028 | 0.76 | — | — | |
| SCHEMBL28633894 | 0.72 | KDM6B (0.47) | — | |
| SCHEMBL29857 | 0.72 | — | — | |
| SCHEMBL461534 | 0.72 | — | — | |
| SCHEMBL269126 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL28028538 | 0.71 | — | — | |
| SCHEMBL17275475 | 0.70 | NOS2 (0.53) | — | |
| SCHEMBL9196900 | 0.69 | TDP1 (0.33) | — | |
| SCHEMBL1680526 | 0.68 | — | — |
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 2 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 |
| US-20050176967-A1 | Preparation for the production of 1,2,4-triazolymethyl-oxiranes | BASF AKTIENGESELLSCHAFT (DE) | 2005-08-11 | — | — | US | disclosed |