⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1786636 | 0.74 | LPAR1 (0.32) | — | |
| SCHEMBL5618585 | 0.74 | — | — | |
| SCHEMBL25192997 | 0.74 | — | — | |
| SCHEMBL9955043 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL5013639 | 0.72 | NR1I2 (0.31) | — | |
| SCHEMBL8179371 | 0.72 | — | — | |
| SCHEMBL9351985 | 0.72 | NOS2 (0.30) | — | |
| SCHEMBL8764529 | 0.72 | GABRA1 (0.34) | — | |
| SCHEMBL21235968 | 0.72 | — | — | |
| SCHEMBL967624 | 0.67 | MLYCD (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5521145-A | Iminothiazoline derivatives and herbicides containing them as active ingredients | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 1996-05-28 | — | — | US | disclosed |
| EP-0683160-A1 | Iminothiazoline derivatives and herbicides containing them as active ingredients | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1995-11-22 | — | — | EP | disclosed |