⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1370935 | 0.97 | — | — | |
| SCHEMBL14905737 | 0.85 | — | — | |
| SCHEMBL3628732 | 0.85 | — | — | |
| SCHEMBL22268605 | 0.84 | THRA (0.31) | — | |
| SCHEMBL336086 | 0.82 | CES2 (0.52) | — | |
| Water SCHEMBL11679290 | 0.80 | CES2 (0.50) | — | |
| Water SCHEMBL11679288 | 0.80 | CES2 (0.50) | — | |
| SCHEMBL7618597 | 0.78 | GABRA5 (0.54) | — | |
| SCHEMBL27833407 | 0.78 | — | — | |
| SCHEMBL8810841 | 0.78 | ROCK2 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1720230-A | Process for producing quinolinecarbaldehyde | NISSAN CHEMICAL IND LTD (JP) | 2006-01-11 | — | — | CN | disclosed |