⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29130044 | 0.83 | — | — | |
| SCHEMBL21295139 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL6290813 | 0.74 | — | — | |
| SCHEMBL25428077 | 0.70 | — | — | |
| SCHEMBL1558 | 0.70 | — | — | |
| SCHEMBL11480259 | 0.69 | — | — | |
| SCHEMBL21373228 | 0.69 | — | — | |
| SCHEMBL198 | 0.69 | — | — | |
| SCHEMBL9220808 | 0.69 | — | — | |
| SCHEMBL288066 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992010454-A1 | PARTIALLY FLUORINATED ALKANOLS HAVING A TERTIARY STRUCTURE | ALLIED-SIGNAL INC. (US) | 1992-06-25 | — | — | WO | claimed |
| US-20080090173-A1 | POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. | 2008-04-17 | — | — | US | disclosed |
| US-5254755-A | Solvents, cleaning compounds | ALLIED-SIGNAL INC. (US) | 1993-10-19 | — | — | US | disclosed |
| WO-1992010454-A1 | PARTIALLY FLUORINATED ALKANOLS HAVING A TERTIARY STRUCTURE | ALLIED-SIGNAL INC. (US) | 1992-06-25 | — | — | WO | disclosed |