⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1237132 | 0.75 | — | — | |
| SCHEMBL21487128 | 0.74 | — | — | |
| SCHEMBL449102 | 0.72 | — | — | |
| SCHEMBL7790895 | 0.72 | — | — | |
| SCHEMBL1782505 | 0.72 | — | — | |
| SCHEMBL15534504 | 0.71 | — | — | |
| SCHEMBL4806472 | 0.71 | — | — | |
| SCHEMBL27624472 | 0.70 | — | — | |
| SCHEMBL2642045 | 0.69 | — | — | |
| SCHEMBL7119654 | 0.69 | CETP (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-5025088-A | — | — | None | — | — | JP | disclosed |
| JP-H0525088-A | NOVEL HYDROXYFRIFLUOROPROPYL ESTER COMPOUND AND PRODUCTION THEREOF AND PRODUCTION OF 3,3,3-TRIFLUOROPROPANE-1,2-DIOL | NIKKO KYODO CO LTD | 1993-02-02 | — | — | JP | disclosed |
| US-4929760-A | ENANTIOMORPHS, LIQUID CRYSTALS, FUNGICIDES, HERBICIDES | SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) | 1990-05-29 | — | — | US | disclosed |