⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18171964 | 0.91 | — | — | |
| SCHEMBL21974662 | 0.89 | PKM (0.30) | — | |
| SCHEMBL18181472 | 0.83 | NPC1 (0.35) | — | |
| SCHEMBL18171978 | 0.81 | DDR1 (0.32) | — | |
| SCHEMBL20090883 | 0.80 | ADORA2A (0.31) | — | |
| SCHEMBL24369945 | 0.76 | MAOB (0.31) | — | |
| SCHEMBL22291717 | 0.76 | DDR1 (0.32) | — | |
| SCHEMBL18173814 | 0.76 | — | — | |
| SCHEMBL18171956 | 0.76 | — | — | |
| SCHEMBL17494927 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3286186-B1 | PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES | SYNGENTA PARTICIPATIONS AG (CH) | 2020-05-06 | — | — | EP | disclosed |
| EP-3286186-B1 | PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES | SYNGENTA PARTICIPATIONS AG (CH) | 2020-05-06 | — | — | EP | disclosed |
| US-10104893-B2 | Pesticidally active polycyclic derivatives with sulfur substituted five membered ring heterocyles | SYNGENTA PARTICIPATIONS AG (CH) | 2018-10-23 | — | — | US | disclosed |
| US-20180110226-A1 | PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES | SYNGENTA PARTICIPATIONS AG (CH) | 2018-04-26 | — | — | US | disclosed |
| US-20180110226-A1 | PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES | SYNGENTA PARTICIPATIONS AG (CH) | 2018-04-26 | — | — | US | disclosed |
| US-20180110226-A1 | PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES | SYNGENTA PARTICIPATIONS AG (CH) | 2018-04-26 | — | — | US | disclosed |
| EP-3286186-A1 | PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES | Syngenta Participations AG (CH) | 2018-02-28 | — | — | EP | disclosed |
| WO-2016169882-A1 | PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES | SYNGENTA PARTICIPATIONS AG (CH) | 2016-10-27 | — | — | WO | disclosed |
| WO-2016169882-A1 | PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES | SYNGENTA PARTICIPATIONS AG (CH) | 2016-10-27 | — | — | WO | disclosed |