⚠ 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 | |
|---|---|---|---|---|
| Propanol SCHEMBL27261540 | 1.00 | — | — | |
| Propanol SCHEMBL29500448 | 0.94 | — | — | |
| Propanol SCHEMBL29500439 | 0.94 | — | — | |
| Propanol SCHEMBL12614801 | 0.94 | ALDH1A1 (0.58) | — | |
| Propanol SCHEMBL15524986 | 0.94 | ALDH1A1 (0.58) | — | |
| Propanol SCHEMBL29558344 | 0.94 | — | — | |
| Propanol SCHEMBL8328980 | 0.94 | ALDH1A1 (0.58) | — | |
| Propanol SCHEMBL1133211 | 0.94 | — | — | |
| Propanol SCHEMBL1478 | 0.94 | — | — | |
| Propanol SCHEMBL23211225 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108884200-B | Polyurethane resin composition, coating agent, and article | DIC株式会社 | 2021-01-26 | — | — | CN | disclosed |
| US-8854730-B2 | Negatively birefringent polyesters and optical films | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2014-10-07 | — | — | US | disclosed |
| US-20120170118-A1 | NEGATIVELY BIREFRINGENT POLYESTERS AND OPTICAL FILMS | 3M INNOVATIVE PROPERTIES COMPANY | 2012-07-05 | — | — | US | disclosed |