⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL862384 | 0.82 | — | — | |
| SCHEMBL24506133 | 0.77 | — | — | |
| SCHEMBL3081957 | 0.70 | — | — | |
| SCHEMBL3081235 | 0.70 | TDP1 (0.37) | — | |
| SCHEMBL12456971 | 0.70 | TDP1 (0.37) | — | |
| SCHEMBL9980025 | 0.67 | — | — | |
| SCHEMBL13765469 | 0.64 | — | — | |
| SCHEMBL19774452 | 0.64 | — | — | |
| SCHEMBL19818865 | 0.64 | — | — | |
| SCHEMBL1470865 | 0.64 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3896066-A2 | 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES | Bayer CropScience Aktiengesellschaft (DE) | 2021-10-20 | — | — | EP | disclosed |
| US-9409945-B2 | Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery | OCERA THERAPEUTICS, INC. (US) | 2016-08-09 | — | — | US | disclosed |
| US-20150315235-A1 | Combinatorial Synthesis of Libraries of Macrocyclic Compounds Useful in Drug Discovery | MALLINCKRODT ENTERPRISES HOLDINGS LLC (F/K/A MALLINCKRODT ENTERPRISES HOLDINGS, INC.) | 2015-11-05 | — | — | US | disclosed |
| US-8008440-B2 | Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery | TRANZYME PHARMA INC. (CA) | 2011-08-30 | — | — | US | disclosed |
| US-20070117154-A1 | Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents | MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) | 2007-05-24 | — | — | US | disclosed |