⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27735225 | 0.97 | TSHR (0.44) | — | |
| Hexyl Formate SCHEMBL28274020 | 0.97 | TSHR (0.44) | — | |
| SCHEMBL27438384 | 0.97 | TSHR (0.44) | — | |
| SCHEMBL11101628 | 0.97 | TSHR (0.44) | — | |
| SCHEMBL28685788 | 0.97 | TSHR (0.44) | — | |
| SCHEMBL27565222 | 0.97 | TSHR (0.44) | — | |
| SCHEMBL28169 | 0.97 | — | — | |
| SCHEMBL55804 | 0.95 | TSHR (0.46) | — | |
| Hexyl Formate SCHEMBL59493 | 0.95 | — | — | |
| SCHEMBL2857805 | 0.95 | TSHR (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 | disclosed |
| 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 | disclosed |
| CN-1974709-B | Electroluminescent conjugated polymer containing polar radical and its application | UNIV SOUTH CHINA TECH | 2010-05-12 | — | — | CN | disclosed |
| US-20090326150-A1 | SYNTHESIS OF POLY-(P-ARYLENEETHYNYLENE)S IN NEAT WATER UNDER AEROBIC CONDIT | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2009-12-31 | — | — | US | disclosed |
| CN-100490206-C | Organic/high molecular light emitting diode | UNIV SOUTH CHINA TECH (CN) | 2009-05-20 | — | — | CN | disclosed |
| CN-1974709-A | Electroluminescent conjugated polymer containing polar radical and its application | UNIV SOUTH CHINA TECH (CN) | 2007-06-06 | — | — | CN | disclosed |
| CN-1555103-A | Organic/high molecular light emitting diode | �Ϻ���ͨ��ѧ | 2004-12-15 | — | — | CN | disclosed |