⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11656840 | 0.67 | — | — | |
| SCHEMBL11656095 | 0.67 | — | — | |
| SCHEMBL27473475 | 0.64 | ALDH1A1 (0.61) | — | |
| SCHEMBL28914598 | 0.64 | — | — | |
| SCHEMBL9157520 | 0.64 | — | — | |
| SCHEMBL3167705 | 0.64 | — | — | |
| SCHEMBL7432922 | 0.64 | — | — | |
| SCHEMBL7524768 | 0.62 | — | — | |
| SCHEMBL7519799 | 0.62 | — | — | |
| SCHEMBL511965 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4101575-A | FUNGICIDES, BACTERICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1978-07-18 | — | — | US | disclosed |
| US-4053620-A | COMBATING FUNGI WITH 1-ARYL-5-ALKYLIDENE-2,4-DIOXO-IMIDAZOLIDINES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-10-11 | — | — | US | disclosed |
| US-4036850-A | FUNGICIDES, HERBICIDES, BACTERICIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-07-19 | — | — | US | disclosed |