⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11942667 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL5766466 | 0.97 | — | — | |
| SCHEMBL19456013 | 0.78 | — | — | |
| SCHEMBL12640985 | 0.77 | — | — | |
| SCHEMBL1050786 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL3435692 | 0.73 | — | — | |
| SCHEMBL3435730 | 0.73 | — | — | |
| SCHEMBL75912 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL19814261 | 0.71 | — | — | |
| SCHEMBL23568246 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220033363-A1 | HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINE HYDRAZIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2022-02-03 | — | — | US | disclosed |