⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14923691 | 0.77 | — | — | |
| SCHEMBL17399191 | 0.72 | — | — | |
| SCHEMBL11423212 | 0.67 | TDP1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL4450181 | 0.64 | TDP1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL6225805 | 0.64 | TDP1 (0.33) | — | |
| SCHEMBL8103973 | 0.61 | — | — | |
| SCHEMBL1525865 | 0.61 | — | — | |
| SCHEMBL562657 | 0.61 | — | — | |
| SCHEMBL8306934 | 0.59 | — | — | |
| SCHEMBL31409183 | 0.57 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9227917-B2 | Amine-containing lipidoids and uses thereof | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2016-01-05 | — | — | US | disclosed |
| EP-1917253-B1 | METHOD FOR PRODUCING BETAMIMETICS | BOEHRINGER INGELHEIM INT (DE) | 2015-01-07 | — | — | EP | disclosed |
| US-8198458-B2 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-12 | — | — | US | disclosed |
| CN-101972492-A | Medical product for curing body channel narrow and preventing dangerous restenosis | HEMOTEQ AG | 2011-02-16 | — | — | CN | disclosed |
| CN-101687066-A | Medical product for treating stenosis of body passageways and preventing dangerous restenosis | HEMOTEQ AG | 2010-03-31 | — | — | CN | disclosed |
| US-7517998-B2 | Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus | BOEHRINGER INGELHEIM INTERNATIONAL GMBH | 2009-04-14 | — | — | US | disclosed |