⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9022383 | 0.89 | — | — | |
| SCHEMBL11032616 | 0.89 | — | — | |
| SCHEMBL4892992 | 0.80 | — | — | |
| SCHEMBL16852766 | 0.76 | — | — | |
| SCHEMBL1647677 | 0.73 | — | — | |
| SCHEMBL11473898 | 0.69 | — | — | |
| SCHEMBL2005497 | 0.69 | — | — | |
| SCHEMBL1647676 | 0.69 | — | — | |
| SCHEMBL270498 | 0.69 | — | — | |
| SCHEMBL1680599 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996036634-A1 | OXIRANYL-HYDROXYETHYL TRIAZOLES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-11-21 | — | — | WO | disclosed |
| WO-1996036635-A1 | OXIRANYL-TRIAZOLES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-11-21 | — | — | WO | disclosed |
| US-5017595-A | Azolylmethylallyl alcohols and fungicides containing these compounds | BASF AKTIENGESELLSCHAFT (DE) | 1991-05-21 | — | — | US | disclosed |