⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20302244 | 0.72 | — | — | |
| SCHEMBL3566978 | 0.72 | — | — | |
| SCHEMBL11036463 | 0.56 | — | — | |
| SCHEMBL1631040 | 0.56 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL2043383 | 0.55 | — | — | |
| Hydrochloric Acid SCHEMBL3566979 | 0.55 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL22661016 | 0.54 | — | — | |
| SCHEMBL23067417 | 0.53 | — | — | |
| SCHEMBL31700849 | 0.53 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL42874 | 0.51 | — | — |
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-20240284907-A1 | NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES | FORTEPHEST LTD. (IL) | 2024-08-29 | — | — | US | disclosed |