⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27811557 | 0.79 | ACHE (0.31) | — | |
| SCHEMBL617538 | 0.73 | — | — | |
| SCHEMBL27811574 | 0.70 | — | — | |
| SCHEMBL9707328 | 0.70 | ACHE (0.31) | — | |
| SCHEMBL9707588 | 0.67 | — | — | |
| SCHEMBL3382768 | 0.63 | — | — | |
| SCHEMBL31338542 | 0.63 | — | — | |
| SCHEMBL4170575 | 0.63 | — | — | |
| SCHEMBL31338545 | 0.61 | HTT (0.33) | — | |
| SCHEMBL9837478 | 0.61 | — | — |
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-5705698-A | Process for the production of pendimethalin and iso-pendimethalin | SRM CHEMICAL, LTD. CO. (US) | 1998-01-06 | — | — | US | disclosed |
| US-4609759-A | Process for preparing amino-2, 4-dinitroaromatic herbicides | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1986-09-02 | — | — | US | disclosed |