⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3249847 | 0.55 | — | — | |
| SCHEMBL21525163 | 0.37 | — | — | |
| Benzene SCHEMBL11788212 | 0.35 | — | — | |
| Benzene SCHEMBL29757764 | 0.35 | TSHR (0.75) | — | |
| Benzene SCHEMBL29650150 | 0.35 | — | — | |
| Benzene SCHEMBL10954205 | 0.35 | TSHR (0.75) | — | |
| Benzene SCHEMBL8233367 | 0.35 | — | — | |
| SCHEMBL1086976 | 0.27 | TSHR (1.00) | — | |
| Benzene SCHEMBL8107103 | 0.27 | TSHR (1.00) | — | |
| Benzene SCHEMBL8430159 | 0.27 | TSHR (1.00) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080138635-A1 | Conjugated Organic Molecules for Molecular Electronic Devices | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2008-06-12 | — | — | US | claimed |
| WO-2006093467-A1 | CONJUGATED ORGANIC MOLECULES FOR MOLECULAR ELECTRONIC DEVICES | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2006-09-08 | — | — | WO | claimed |
| US-20080138635-A1 | Conjugated Organic Molecules for Molecular Electronic Devices | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2008-06-12 | — | — | US | disclosed |
| WO-2006093467-A1 | CONJUGATED ORGANIC MOLECULES FOR MOLECULAR ELECTRONIC DEVICES | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2006-09-08 | — | — | WO | disclosed |