⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8612702 | 0.77 | TRPA1 (0.31) | — | |
| SCHEMBL8970526 | 0.72 | MGAM (0.37) | — | |
| SCHEMBL6424764 | 0.71 | CNR1 (0.35) | — | |
| SCHEMBL17268821 | 0.69 | GABRA1 (0.33) | — | |
| SCHEMBL21279047 | 0.69 | GABRA1 (0.33) | — | |
| SCHEMBL13207514 | 0.69 | GRIN2D (0.39) | — | |
| SCHEMBL21277268 | 0.65 | NOS3 (0.36) | — | |
| SCHEMBL338590 | 0.64 | TRPA1 (0.32) | — | |
| SCHEMBL4572706 | 0.64 | IDO1 (0.32) | — | |
| SCHEMBL2691782 | 0.64 | — | — |
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-6885038-B2 | Light-emitting polymers and polymer light-emitting diodes | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2005-04-26 | — | — | US | disclosed |
| US-20030088043-A1 | Light-emitting polymers and polymer light-emitting diodes | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2003-05-08 | — | — | US | disclosed |
| US-5731599-A | EFFICIENCY, POLYETHERS | SAMSUNG ELECTRONICS CO., LTD. (KR) | 1998-03-24 | — | — | US | disclosed |