⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18173816 | 0.85 | S1PR1 (0.33) | — | |
| SCHEMBL18179638 | 0.84 | — | — | |
| SCHEMBL20047438 | 0.83 | CNR2 (0.30) | — | |
| SCHEMBL18173831 | 0.82 | — | — | |
| SCHEMBL18072928 | 0.80 | — | — | |
| SCHEMBL18179616 | 0.79 | NPC1 (0.31) | — | |
| SCHEMBL19755918 | 0.78 | — | — | |
| SCHEMBL30958295 | 0.78 | — | — | |
| SCHEMBL18179709 | 0.77 | MCHR1 (0.33) | — | |
| SCHEMBL18179639 | 0.76 | — | — |
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-20180099970-A1 | PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES | SYNGENTA PARTICIPATIONS AG (CH) | 2018-04-12 | — | — | US | disclosed |
| US-20180099970-A1 | PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES | SYNGENTA PARTICIPATIONS AG (CH) | 2018-04-12 | — | — | US | disclosed |