⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7107867 | 0.85 | TSHR (0.30) | — | |
| SCHEMBL18920604 | 0.84 | — | — | |
| Bicarbonate SCHEMBL10888527 | 0.80 | TSHR (0.38) | — | |
| SCHEMBL7860604 | 0.78 | LMNA (0.33) | — | |
| SCHEMBL17516332 | 0.78 | TSHR (0.43) | — | |
| Bicarbonate SCHEMBL2400113 | 0.77 | ACE2 (0.46) | — | |
| SCHEMBL19643118 | 0.77 | TSHR (0.48) | — | |
| SCHEMBL1100183 | 0.77 | TSHR (0.48) | — | |
| SCHEMBL9679319 | 0.77 | TSHR (0.48) | — | |
| SCHEMBL11678718 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016019844-A1 | DABIGATRAN CYCLIC ESTER DERIVATIVE, AND METHOD FOR PREPARATION AND PHARMACEUTICAL USE THEREOF | 四川海思科制药有限公司 | 2016-02-11 | — | — | WO | disclosed |
| US-20110185052-A1 | COMMUNICATION CONTROL APPARATUS FOR CONTROLLING QoS ACCORDING TO APPLICATIONS AND NETWORK STATE | OKI ELECTRIC INDUSTRY CO., LTD. (JP) | 2011-07-28 | — | — | US | disclosed |
| US-20100025661-A1 | Luminescent material and organic electroluminescent device using the same | JNC CORPORATION (JP) | 2010-02-04 | — | — | US | disclosed |
| CN-1261465-C | Addition of organic initiators during pressure drop in vinyl chloride monomer polymerization | AKZO NOBEL NV (NL) | 2006-06-28 | — | — | CN | disclosed |
| CN-1606575-A | Addition of organic initiators during the pressure drop in vinyl chloride monomer polymerization reactions | AKZO NOBEL NV (NL) | 2005-04-13 | — | — | CN | disclosed |