⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18179831 | 0.86 | CYP19A1 (0.32) | — | |
| SCHEMBL18179705 | 0.85 | — | — | |
| SCHEMBL21375987 | 0.84 | — | — | |
| SCHEMBL18179702 | 0.83 | PRMT6 (0.34) | — | |
| SCHEMBL21376198 | 0.82 | — | — | |
| SCHEMBL24361240 | 0.82 | — | — | |
| SCHEMBL21376104 | 0.81 | — | — | |
| SCHEMBL18173816 | 0.80 | S1PR1 (0.33) | — | |
| SCHEMBL24360760 | 0.80 | — | — | |
| SCHEMBL24361081 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2016169886-A1 | PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES | SYNGENTA CROP PROTECTION AG (CH) | 2016-10-27 | — | — | WO | disclosed |