⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1144350 | 1.00 | — | — | |
| SCHEMBL4375053 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL21670434 | 0.97 | — | — | |
| Acetic Acid SCHEMBL5787800 | 0.95 | ALDH1A1 (0.38) | — | |
| SCHEMBL1144225 | 0.91 | SLC22A6 (0.35) | — | |
| SCHEMBL11304046 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL16311694 | 0.78 | — | — | |
| SCHEMBL5263921 | 0.78 | — | — | |
| SCHEMBL8555268 | 0.78 | — | — | |
| SCHEMBL23019236 | 0.76 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017158616-A1 | CARBAPENEM COMPOUNDS | ORCHID PHARMA LTD. (IN) | 2017-09-21 | — | — | WO | disclosed |
| US-9062028-B2 | Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-06-23 | — | — | US | disclosed |
| US-20140080788-A1 | NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY | 2014-03-20 | — | — | US | disclosed |
| US-20120071329-A1 | METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES | GLAXOSMITHKLINE LLC (US) | 2012-03-22 | — | — | US | disclosed |
| US-20110251089-A1 | METHODS FOR SYNTHESIS OF ENCODED LIBRARIES | GLAXOSMITHKLINE (US) | 2011-10-13 | — | — | US | disclosed |
| US-7989395-B2 | Methods for identifying compounds of interest using encoded libraries | GLAXOSMITHKLINE LLC (US) | 2011-08-02 | — | — | US | disclosed |
| US-6482921-B1 | Uridyl peptide antibiotic (UPA) derivatives, their synthesis and use | ESSENTIAL THERAPEUTICS, INC. | 2002-11-19 | — | — | US | disclosed |