⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4442658 | 0.55 | — | — | |
| Iodide SCHEMBL7867678 | 0.36 | — | — | |
| Iodide SCHEMBL489610 | 0.36 | — | — | |
| SCHEMBL56545 | 0.35 | — | — | |
| SCHEMBL3936458 | 0.35 | — | — | |
| SCHEMBL11203291 | 0.32 | — | — | |
| SCHEMBL23345967 | 0.26 | — | — | |
| Hydrogen Sulfide SCHEMBL15941638 | 0.26 | — | — | |
| SCHEMBL6559802 | 0.26 | — | — | |
| Hydrogen Sulfide SCHEMBL1412215 | 0.26 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3628661-A1 | BIARYL DERIVATIVES AS GPR120 AGONISTS | LG CHEM, LTD. (KR) | 2020-04-01 | — | — | EP | disclosed |
| WO-2011031396-A2 | NEAR-INFRARED ABSORBING FILM COMPOSITIONS | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2011-03-17 | — | — | WO | disclosed |