⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30887 | 0.97 | — | — | |
| SCHEMBL2542185 | 0.95 | — | — | |
| SCHEMBL2538053 | 0.95 | — | — | |
| SCHEMBL2540639 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL2540911 | 0.95 | — | — | |
| SCHEMBL11147148 | 0.95 | — | — | |
| Ethyne SCHEMBL28629857 | 0.92 | MAPT (0.31) | — | |
| Propene SCHEMBL28207333 | 0.90 | TSHR (0.31) | — | |
| Butane SCHEMBL2150699 | 0.88 | TSHR (0.37) | — | |
| SCHEMBL8607616 | 0.86 | — | — |
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 | 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 |
| 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 |