⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2994435 | 0.88 | CHRM5 (0.30) | — | |
| SCHEMBL2496460 | 0.61 | — | — | |
| SCHEMBL7300567 | 0.60 | — | — | |
| SCHEMBL5752748 | 0.60 | — | — | |
| SCHEMBL206881 | 0.58 | — | — | |
| SCHEMBL14899968 | 0.58 | KDM1A (0.35) | — | |
| SCHEMBL3685126 | 0.56 | — | — | |
| SCHEMBL4480663 | 0.55 | — | — | |
| Hydrochloric Acid SCHEMBL7924421 | 0.54 | BLM (0.31) | — | |
| Hydrochloric Acid SCHEMBL8873510 | 0.53 | — | — |
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-20140350081-A1 | INSECT G-COUPLED RECEPTORS USEFUL AS TARGETS FOR INSECTICIDES AND COMPOUNDS AND REAGENTS IDENTIFIED USING THE SAME | US ARMY, SECRETARY OF THE ARMY | 2014-11-27 | — | — | US | claimed |
| US-20140350081-A1 | INSECT G-COUPLED RECEPTORS USEFUL AS TARGETS FOR INSECTICIDES AND COMPOUNDS AND REAGENTS IDENTIFIED USING THE SAME | US ARMY, SECRETARY OF THE ARMY | 2014-11-27 | — | — | US | disclosed |
| WO-2013067519-A2 | INSECT AND TICK G-COUPLED RECEPTORS USEFUL AS TARGETS FOR INSECTICIDES AND COMPOUNDS AND REAGENTS IDENTIFIED USING THE SAME | PURDUE RESEARCH FOUNDATION (US) | 2013-05-10 | — | — | WO | disclosed |