⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18998462 | 1.00 | — | — | |
| SCHEMBL11826258 | 0.82 | ALDH1A1 (0.42) | — | |
| SCHEMBL11826262 | 0.82 | ALDH1A1 (0.42) | — | |
| SCHEMBL23033888 | 0.76 | — | — | |
| SCHEMBL29294176 | 0.76 | — | — | |
| SCHEMBL26250776 | 0.76 | — | — | |
| SCHEMBL11441520 | 0.75 | EPHX1 (0.50) | — | |
| SCHEMBL14086037 | 0.75 | EPHX1 (0.50) | — | |
| SCHEMBL14086040 | 0.75 | EPHX1 (0.50) | — | |
| SCHEMBL21420047 | 0.75 | EPHX2 (0.34) | — |
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-10645928-B2 | Pesticidally active polycyclic derivatives with sulfur containing substituents | SYNGENTA PARTICIPATIONS AG (CH) | 2020-05-12 | — | — | US | disclosed |
| US-20170318809-A1 | PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS | SYNGENTA PARTICIPATIONS AG (CH) | 2017-11-09 | — | — | US | disclosed |
| EP-2794565-B1 | HEPATITIS B ANTIVIRAL AGENTS | NOVIRA THERAPEUTICS INC (US) | 2017-07-26 | — | — | EP | disclosed |