⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL188559 | 0.94 | TSHR (0.31) | — | |
| SCHEMBL1071020 | 0.91 | TSHR (0.33) | — | |
| Bicarbonate SCHEMBL8152425 | 0.85 | TSHR (0.34) | — | |
| Methyl Alcohol SCHEMBL22372516 | 0.85 | TSHR (0.34) | — | |
| SCHEMBL8727210 | 0.84 | TSHR (0.37) | — | |
| SCHEMBL748244 | 0.84 | TSHR (0.37) | — | |
| SCHEMBL15053822 | 0.84 | TSHR (0.37) | — | |
| SCHEMBL15308 | 0.84 | TSHR (0.37) | — | |
| SCHEMBL16240339 | 0.84 | TSHR (0.32) | — | |
| SCHEMBL1628670 | 0.84 | MTNR1A (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150144199-A1 | DYE-SENSITIZED SOLAR CELL HAVING CARBON NANO-WEB COATED WITH GRAPHENE AND METHOD FOR MANUFACTURING SAME | KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) | 2015-05-28 | — | — | US | disclosed |