⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4892992 | 0.82 | — | — | |
| SCHEMBL8110509 | 0.81 | — | — | |
| SCHEMBL8054710 | 0.78 | — | — | |
| SCHEMBL11386591 | 0.78 | — | — | |
| SCHEMBL29857 | 0.73 | — | — | |
| SCHEMBL9837341 | 0.73 | — | — | |
| SCHEMBL951386 | 0.72 | — | — | |
| SCHEMBL14660500 | 0.72 | DHODH (0.30) | — | |
| SCHEMBL9790025 | 0.72 | — | — | |
| SCHEMBL1647677 | 0.70 | — | — |
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 |