⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26632587 | 0.89 | TSHR (0.42) | — | |
| SCHEMBL10598543 | 0.89 | TSHR (0.42) | — | |
| SCHEMBL11279474 | 0.83 | TSHR (0.36) | — | |
| SCHEMBL8551965 | 0.81 | — | — | |
| SCHEMBL6257463 | 0.81 | FFAR1 (0.42) | — | |
| SCHEMBL8897968 | 0.81 | TSHR (0.43) | — | |
| SCHEMBL11674541 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL17798171 | 0.79 | — | — | |
| SCHEMBL27781294 | 0.78 | TSHR (0.40) | — | |
| SCHEMBL6269223 | 0.77 | FFAR1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1892254-B1 | Co-polymerization of an isoolefin with a halogenated co-monomer | LANXESS INC (CA) | 2012-06-06 | — | — | EP | disclosed |
| EP-0252964-B1 | CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING SUBSTITUTED PYRIDINIUM SALTS | MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) | 1991-08-21 | — | — | EP | disclosed |
| US-4973772-A | Catalytic method for producing fluoroarmatic compounds using substituted pyridinium salts | MALLINCKRODT, INC. (US) | 1990-11-27 | — | — | US | disclosed |
| US-3954832-A | 16-And 16,16-methyl and ethyl substituted PGA1 -type compounds | THE UPJOHN COMPANY (US) | 1976-05-04 | — | — | US | disclosed |