⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2516900 | 0.77 | — | — | |
| SCHEMBL148731 | 0.68 | DAO (0.33) | — | |
| SCHEMBL4602957 | 0.66 | — | — | |
| SCHEMBL25215257 | 0.65 | — | — | |
| SCHEMBL12802671 | 0.62 | DAO (0.36) | — | |
| SCHEMBL12802066 | 0.61 | GABRA1 (0.42) | — | |
| SCHEMBL12802049 | 0.60 | TSHR (0.37) | — | |
| SCHEMBL16167311 | 0.60 | DAO (0.36) | — | |
| SCHEMBL7194166 | 0.59 | GABRA1 (0.44) | — | |
| SCHEMBL8077538 | 0.59 | TSHR (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8288497-B2 | Synthesis of poly-(P-aryleneethynylene)s in neat water under aerobic conditions | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2012-10-16 | — | — | US | claimed |
| US-20110257356-A1 | Synthesis of Poly-(P-Aryleneethynylene)s in Neat Water Under Aerobic Conditions | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2011-10-20 | — | — | US | claimed |
| US-20130267699-A1 | QUATERNARY HETEROATOM CONTAINING COMPOUNDS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2013-10-10 | — | — | US | disclosed |