⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15934502 | 1.00 | — | — | |
| SCHEMBL12552285 | 1.00 | — | — | |
| SCHEMBL15934504 | 1.00 | — | — | |
| SCHEMBL15934506 | 1.00 | — | — | |
| SCHEMBL14701160 | 0.94 | — | — | |
| SCHEMBL15934508 | 0.94 | — | — | |
| SCHEMBL15671754 | 0.94 | — | — | |
| SCHEMBL15934510 | 0.94 | — | — | |
| SCHEMBL19546221 | 0.89 | — | — | |
| SCHEMBL19545896 | 0.87 | — | — |
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-9974303-B2 | Cationic polymers for antimicrobial applications and delivery of bioactive materials | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2018-05-22 | — | — | US | disclosed |
| US-9212142-B2 | Niacin mimetics, and methods of use thereof | TRUSTEES OF TUFTS COLLEGE (US) | 2015-12-15 | — | — | US | disclosed |
| US-20150094303-A1 | Niacin Mimetics, and Methods of Use Thereof | TRUSTEES OF TUFTS COLLEGE | 2015-04-02 | — | — | US | disclosed |
| US-20140220093-A1 | CATIONIC POLYMERS FOR ANTIMICROBIAL APPLICATIONS AND DELIVERY OF BIOACTIVE MATERIALS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2014-08-07 | — | — | US | disclosed |
| US-20140018359-A1 | Niacin Mimetics, and Methods of Use Thereof | Arisaph Pharmaceuticals (US) | 2014-01-16 | — | — | US | disclosed |
| US-6984743-B1 | Method for producing metallocenes | BASELL POLYOLEFINE GMBH (DE) | 2006-01-10 | — | — | US | disclosed |