⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20835015 | 0.82 | — | — | |
| SCHEMBL17766127 | 0.77 | — | — | |
| Isopropylamine SCHEMBL28349866 | 0.72 | OPRM1 (0.33) | — | |
| SCHEMBL37637 | 0.72 | SLC6A2 (0.33) | — | |
| SCHEMBL5204161 | 0.71 | — | — | |
| SCHEMBL28527937 | 0.71 | — | — | |
| SCHEMBL28350197 | 0.70 | — | — | |
| SCHEMBL28632775 | 0.67 | — | — | |
| SCHEMBL3948237 | 0.67 | SLC6A2 (0.32) | — | |
| Phosphine SCHEMBL28105962 | 0.67 | TSHR (0.32) | — |
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-20030113662-A1 | Photo-curable resin composition, patterning process, and substrate protecting film | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2003-06-19 | — | — | US | disclosed |