⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5402636 | 0.83 | — | — | |
| SCHEMBL22362900 | 0.79 | TSHR (0.31) | — | |
| SCHEMBL11607902 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL284946 | 0.77 | TSHR (0.50) | — | |
| SCHEMBL4124 | 0.77 | ALDH1A1 (0.50) | — | |
| SCHEMBL11780153 | 0.74 | ALDH1A1 (0.48) | — | |
| SCHEMBL10469640 | 0.74 | — | — | |
| SCHEMBL28818315 | 0.74 | ALDH1A1 (0.48) | — | |
| SCHEMBL21777186 | 0.74 | ALDH1A1 (0.48) | — | |
| SCHEMBL28220885 | 0.74 | ALDH1A1 (0.48) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0643707-A1 | THIADIAZOLINES AND THEIR USE AS HERBICIDES | BAYER AG (DE) | 1995-03-22 | — | — | EP | claimed |
| WO-1993024474-A1 | THIADIAZOLINES AND THEIR USE AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1993-12-09 | — | — | WO | claimed |
| EP-0643707-A1 | THIADIAZOLINES AND THEIR USE AS HERBICIDES | BAYER AG (DE) | 1995-03-22 | — | — | EP | disclosed |
| WO-1993024474-A1 | THIADIAZOLINES AND THEIR USE AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1993-12-09 | — | — | WO | disclosed |
| EP-0320733-B1 | 2-TERT.-BUTYL-5-ISOXAZOLYL METHYLTHIO-3(2H)-PYRIDAZIN-3-ONE DERIVATIVES | BASF Aktiengesellschaft (DE) | 1993-03-03 | — | — | EP | disclosed |
| EP-0368225-B1 | HYDROXYL AMINE DERIVATIVES | BASF Aktiengesellschaft (DE) | 1992-04-15 | — | — | EP | disclosed |
| US-5081301-A | HYDROXYLAMINE DERIVATIVES WHICH ARE INTERMEDIATES FOR MAKING HERBICIDAL COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 1992-01-14 | — | — | US | disclosed |
| US-4929617-A | INSECTICIDES, MITICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1990-05-29 | — | — | US | disclosed |
| EP-0368225-A1 | Hydroxyl amine derivatives | BASF Aktiengesellschaft (DE) | 1990-05-16 | — | — | EP | disclosed |
| EP-0351589-A2 | 3(2H)-Pyridazinone derivatives for controlling snails | BASF Aktiengesellschaft (DE) | 1990-01-24 | — | — | EP | disclosed |
| EP-0320733-A2 | 2-tert.-butyl-5-isoxazolyl methylthio-3(2H)-pyridazin-3-one derivatives | BASF Aktiengesellschaft (DE) | 1989-06-21 | — | — | EP | disclosed |