⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL467893 | 0.74 | GRIN2D (0.34) | — | |
| SCHEMBL3412300 | 0.71 | NOS3 (0.36) | — | |
| SCHEMBL15063702 | 0.69 | GABRA1 (0.33) | — | |
| SCHEMBL15063774 | 0.69 | GRIN2D (0.38) | — | |
| SCHEMBL15063818 | 0.69 | — | — | |
| SCHEMBL15063862 | 0.69 | — | — | |
| SCHEMBL27720741 | 0.68 | TAAR1 (0.33) | — | |
| SCHEMBL27907842 | 0.68 | GRIN2D (0.30) | — | |
| SCHEMBL15063864 | 0.67 | NOS3 (0.32) | — | |
| SCHEMBL1031913 | 0.67 | CYP2C9 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000036004-A1 | ORGANIC SALT-CONTAINING LIGHT-EMITTING POLYMER DEVICE | SECURENCY PTY LTD (AU) | 2000-06-22 | — | — | WO | claimed |
| WO-2000036004-A1 | ORGANIC SALT-CONTAINING LIGHT-EMITTING POLYMER DEVICE | SECURENCY PTY LTD (AU) | 2000-06-22 | — | — | WO | disclosed |