⚠ 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 | |
|---|---|---|---|---|
| Butanol SCHEMBL2174043 | 0.93 | TSHR (0.67) | — | |
| Butanol SCHEMBL2012224 | 0.88 | TSHR (1.00) | — | |
| Butanol SCHEMBL55899 | 0.88 | — | — | |
| Butanol SCHEMBL55049 | 0.88 | — | — | |
| Butanol SCHEMBL1418 | 0.88 | — | — | |
| Butanol SCHEMBL1476858 | 0.85 | — | — | |
| Butanol SCHEMBL8714683 | 0.85 | — | — | |
| Butanol SCHEMBL1554783 | 0.84 | — | — | |
| Butanol SCHEMBL15733226 | 0.84 | TSHR (0.91) | — | |
| Butanol SCHEMBL22118216 | 0.84 | TSHR (0.91) | — |
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-9056112-B2 | Process for preparation of pure linagliptin | DR. REDDY'S LABORATORIES LIMITED (IN) | 2015-06-16 | — | — | US | claimed |
| US-20140357863-A1 | PROCESS FOR PREPARATION OF PURE LINAGLIPTIN | DR. REDDY'S LABORATORIES LIMITED (IN) | 2014-12-04 | — | — | US | claimed |
| WO-2013098775-A1 | IMPROVED PROCESS FOR PREPARATION OF PURE LINAGLIPTIN | DR. REDDY'S LABORATORIES LIMITED (IN) | 2013-07-04 | — | — | WO | claimed |
| US-4366147-A | CULTURE PRODUCT OF ACTINOPLANES | ELI LILLY AND COMPANY (US) | 1982-12-28 | — | — | US | disclosed |
| US-4174390-A | ANIMAL GROWTH REGULATION | ELI LILLY AND COMPANY (US) | 1979-11-13 | — | — | US | disclosed |