⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12510665 | 1.00 | — | — | |
| SCHEMBL12289237 | 0.83 | AKR1B1 (0.39) | — | |
| SCHEMBL28470183 | 0.79 | HSD17B10 (0.31) | — | |
| SCHEMBL16704344 | 0.78 | — | — | |
| SCHEMBL6433094 | 0.77 | — | — | |
| SCHEMBL6279266 | 0.76 | — | — | |
| SCHEMBL6288609 | 0.76 | MAPK1 (0.54) | — | |
| SCHEMBL7823415 | 0.76 | — | — | |
| SCHEMBL4547747 | 0.74 | — | — | |
| SCHEMBL2108806 | 0.74 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0472925-B1 | Substituted pyridins | BAYER AG (DE) | 1994-08-31 | — | — | EP | claimed |
| US-20140360396-A1 | LITHOGRAPHIC PRINTING PLATE PRECURSORS AND PROCESSES FOR PREPARING LITHOGRAPHIC PRINTING PLATES | FUJIFILM CORPORATION (JP) | 2014-12-11 | — | — | US | disclosed |
| US-7528135-B2 | Pyridine derivatives as H3 antagonists | HOFFMANN-LA ROCHE INC. (US) | 2009-05-05 | — | — | US | disclosed |
| US-20070092460-A1 | Silylated compounds as precursors for self-tanning compositions | EHLIS THOMAS | 2007-04-26 | — | — | US | disclosed |
| US-20060122187-A1 | Pyridine derivatives as H3 antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 2006-06-08 | — | — | US | disclosed |
| US-6911468-B2 | Tyrosine phosphatase inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2005-06-28 | — | — | US | disclosed |
| US-20030144338-A1 | Tyrosine phosphatase inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2003-07-31 | — | — | US | disclosed |
| EP-1284260-A1 | TYROSINE PHOSPHATASE INHIBITORS | Takeda Chemical Industries, Ltd. (JP) | 2003-02-19 | — | — | EP | disclosed |
| US-5830996-A | ANTITUMOR, ANTICARCINOGENIC AGENT | UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) | 1998-11-03 | — | — | US | disclosed |
| WO-1998013063-A1 | CYCLIC PEPTIDE ANTITUMOR AGENT FROM AN ASCIDIAN | UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) | 1998-04-02 | — | — | WO | disclosed |