⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL237206 | 0.80 | — | — | |
| SCHEMBL27704214 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL818370 | 0.76 | TSHR (0.40) | — | |
| Isopropyl Alcohol SCHEMBL29065837 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL9949341 | 0.72 | — | — | |
| SCHEMBL9949972 | 0.72 | TSHR (0.42) | — | |
| SCHEMBL8385043 | 0.72 | — | — | |
| SCHEMBL25303457 | 0.70 | — | — | |
| SCHEMBL17606 | 0.69 | — | — | |
| Trimethylammonium SCHEMBL27511981 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0638236-B1 | Agricultural chemical composition | KAO CORP (JP) | 1998-09-30 | — | — | EP | disclosed |
| EP-0842603-A1 | Agricultural chemical composition | KAO CORPORATION (JP) | 1998-05-20 | — | — | EP | disclosed |
| US-5563111-A | Agricultural chemical composition comprising amine surfactants with at least one ester or amide linkage | KAO CORPORATION (JP) | 1996-10-08 | — | — | US | disclosed |
| EP-0638236-A1 | Agricultural chemical composition | KAO CORPORATION (JP) | 1995-02-15 | — | — | EP | disclosed |