⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27905398 | 0.91 | — | — | |
| SCHEMBL19899968 | 0.88 | TSHR (0.41) | — | |
| SCHEMBL10447882 | 0.88 | — | — | |
| SCHEMBL4622768 | 0.80 | — | — | |
| SCHEMBL9351573 | 0.79 | — | — | |
| SCHEMBL3076033 | 0.79 | — | — | |
| SCHEMBL9644756 | 0.79 | — | — | |
| SCHEMBL11658097 | 0.77 | CES2 (0.43) | — | |
| SCHEMBL7155300 | 0.76 | TSHR (0.50) | — | |
| SCHEMBL9007915 | 0.76 | TSHR (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014149206-A1 | PYRAZOLOPYRIMIDINE-BASED INSECTICIDAL COMPOSITIONS AND RELATED METHODS | DOW AGROSCIENCES LLC (US) | 2014-09-25 | — | — | WO | disclosed |
| WO-2014126580-A1 | PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2014-08-21 | — | — | WO | disclosed |
| CN-103153345-A | Amatoxin conjugates with improved linkers | HEIDELBERG PHARMA GMBH | 2013-06-12 | — | — | CN | disclosed |