⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4666844 | 0.80 | — | — | |
| SCHEMBL4777651 | 0.69 | — | — | |
| SCHEMBL3634153 | 0.68 | — | — | |
| SCHEMBL3121611 | 0.67 | — | — | |
| SCHEMBL19260290 | 0.64 | — | — | |
| SCHEMBL7339269 | 0.62 | — | — | |
| SCHEMBL8683692 | 0.60 | KEAP1 (0.32) | — | |
| SCHEMBL7402424 | 0.57 | — | — | |
| SCHEMBL10751979 | 0.57 | — | — | |
| SCHEMBL401957 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106455565-A | Use of substituted oxotetrahydroquinoline sulfonamides or salts thereof for increasing stress tolerance in plants | 拜耳作物科学股份公司 | 2017-02-22 | — | — | CN | disclosed |
| EP-2155757-A1 | NEW PROGESTERONE RECEPTOR MODULATORS | N.V. Organon (NL) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008135291-A1 | NEW PROGESTERONE RECEPTOR MODULATORS | N.V. ORGANON (NL) | 2008-11-13 | — | — | WO | disclosed |