⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7654773 | 0.79 | — | — | |
| SCHEMBL6552362 | 0.78 | — | — | |
| SCHEMBL9298973 | 0.78 | — | — | |
| SCHEMBL9694914 | 0.76 | — | — | |
| SCHEMBL17003990 | 0.71 | THRB (0.36) | — | |
| SCHEMBL7654581 | 0.67 | — | — | |
| SCHEMBL12955810 | 0.65 | — | — | |
| SCHEMBL108676 | 0.63 | — | — | |
| SCHEMBL6131458 | 0.63 | — | — | |
| SCHEMBL6290499 | 0.63 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6383274-B1 | Ink jet ink compositions and printing processes | XEROX CORPORATION | 2002-05-07 | — | — | US | claimed |
| US-5466877-A | Fluorination with deesterification and alkylation | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-11-14 | — | — | US | claimed |
| US-6383274-B1 | Ink jet ink compositions and printing processes | XEROX CORPORATION | 2002-05-07 | — | — | US | disclosed |
| US-5466877-A | Fluorination with deesterification and alkylation | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-11-14 | — | — | US | disclosed |
| WO-1995025082-A1 | PROCESS FOR CONVERTING PERFLUORINATED ESTERS TO PERFLUORINATED ACYL FLUORIDES AND/OR KETONES | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-09-21 | — | — | WO | disclosed |