⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11592910 | 0.97 | TSHR (0.52) | — | |
| SCHEMBL26112142 | 0.88 | TSHR (0.45) | — | |
| SCHEMBL26648985 | 0.88 | TSHR (0.45) | — | |
| SCHEMBL26683413 | 0.88 | TSHR (0.45) | — | |
| SCHEMBL26110636 | 0.88 | TSHR (0.45) | — | |
| SCHEMBL21138279 | 0.81 | LIPE (0.42) | — | |
| SCHEMBL16009686 | 0.79 | TSHR (0.38) | — | |
| SCHEMBL21885560 | 0.79 | TSHR (0.38) | — | |
| SCHEMBL16009685 | 0.79 | TSHR (0.38) | — | |
| SCHEMBL20279557 | 0.79 | TSHR (0.41) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4451279-A | SAFENERS | CIBA-GEIGY CORPORATION (US) | 1984-05-29 | — | — | US | disclosed |
| US-4449999-A | PLANT SAFENING AGENTS; PROTECTIVE COATINGS FOR SEEDS | CIBA-GEIGY CORPORATION (US) | 1984-05-22 | — | — | US | disclosed |
| US-4425151-A | Sulfur-containing oxime compounds, processes for producing them, and their use for protecting cultivated plants | CIBA-GEIGY CORPORATION (US) | 1984-01-10 | — | — | US | disclosed |
| US-4394152-A | Sulfur-containing oxime compounds for protecting cultivated plants | CIBA-GEIGY CORPORATION (US) | 1983-07-19 | — | — | US | disclosed |
| US-4382893-A | PLANT SAFTENING AGENTS | CIBA-GEIGY CORPORATION (US) | 1983-05-10 | — | — | US | disclosed |
| US-4278613-A | ANTIDOTES | CIBA-GEIGY CORPORATION (US) | 1981-07-14 | — | — | US | disclosed |