⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL28274587 | 0.89 | — | — | |
| Hexane SCHEMBL4760344 | 0.87 | TSHR (0.62) | — | |
| Propanol SCHEMBL29120875 | 0.87 | — | — | |
| Pentane SCHEMBL7646022 | 0.87 | TSHR (0.62) | — | |
| Alcohol SCHEMBL472182 | 0.86 | — | — | |
| SCHEMBL14855 | 0.84 | — | — | |
| SCHEMBL20661241 | 0.84 | ALDH1A1 (1.00) | — | |
| SCHEMBL322832 | 0.84 | ALDH1A1 (1.00) | — | |
| SCHEMBL1331930 | 0.84 | — | — | |
| Decane SCHEMBL11687272 | 0.84 | TSHR (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5523079-A | CONTAINING SURFACTANT, POLYMER FORMED FROM BUTENE AND/OR ISOPRENE MONOMERS, GUAR HYDROXYPROPYLTRIMONIUM CHLORIDE | CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) | 1996-06-04 | — | — | US | claimed |
| US-4525203-A | ((3,4,5,6-Tetrahydro-2H-pyran-2-yl)methoxy)oxabicycloalkane herbicides | SHELL OIL COMPANY (US) | 1985-06-25 | — | — | US | disclosed |