⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11742417 | 1.00 | — | — | |
| SCHEMBL466756 | 1.00 | — | — | |
| Water SCHEMBL31456226 | 0.97 | — | — | |
| SCHEMBL18688603 | 0.95 | ALDH1A1 (0.45) | — | |
| SCHEMBL12917426 | 0.92 | ALDH1A1 (0.52) | — | |
| SCHEMBL21477659 | 0.92 | ALDH1A1 (0.52) | — | |
| SCHEMBL466731 | 0.92 | — | — | |
| SCHEMBL466732 | 0.92 | — | — | |
| SCHEMBL11742551 | 0.92 | — | — | |
| SCHEMBL3624968 | 0.90 | ALDH1A1 (0.50) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3461835-A1 | CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3 | ContraVir Pharmaceuticals, Inc. (US) | 2019-04-03 | — | — | EP | disclosed |
| US-8877857-B2 | Polar group-containing copolymer, rubber composition and studless tire | SUMITOMO RUBBER INDUSTRIES, LTD. (JP) | 2014-11-04 | — | — | US | disclosed |
| EP-2404944-B1 | POLAR GROUP-CONTAINING COPOLYMER, RUBBER COMPOSITION AND STUDLESS TIRE | SUMITOMO RUBBER IND (JP) | 2014-05-14 | — | — | EP | disclosed |
| CN-102365306-B | Polar group-containing copolymer, rubber composition and studless tire | SUMITOMO RUBBER IND | 2014-04-02 | — | — | CN | disclosed |
| US-20120095153-A1 | POLAR GROUP-CONTAINING COPOLYMER, RUBBER COMPOSITION AND STUDLESS TIRE | SUMITOMO RUBBER INDUSTRIES, LTD. (JP) | 2012-04-19 | — | — | US | disclosed |
| CN-102365306-A | Polar group-containing copolymer, rubber composition and studless tire | SUMITOMO RUBBER IND | 2012-02-29 | — | — | CN | disclosed |
| EP-2404944-A1 | POLAR GROUP-CONTAINING COPOLYMER, RUBBER COMPOSITION AND STUDLESS TIRE | Sumitomo Rubber Industries, Ltd. (JP) | 2012-01-11 | — | — | EP | disclosed |
| US-4064259-A | Thiazole cardiovascular agents | SYNTEX (U.S.A.) INC. (US) | 1977-12-20 | — | — | US | disclosed |