⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4256237 | 0.90 | — | — | |
| SCHEMBL5010946 | 0.78 | ATM (0.31) | — | |
| SCHEMBL5551184 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL3967301 | 0.70 | — | — | |
| SCHEMBL29403344 | 0.63 | CYP2A6 (0.36) | — | |
| SCHEMBL356036 | 0.63 | CYP2A6 (0.36) | — | |
| SCHEMBL29683360 | 0.62 | MEN1 (0.31) | — | |
| SCHEMBL9356793 | 0.58 | DYRK1A (0.39) | — | |
| SCHEMBL6002638 | 0.54 | LMNA (0.32) | — | |
| SCHEMBL3068273 | 0.53 | CRHBP (0.33) | — |
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-20090284698-A1 | Ink composition, color filter manufactured by using the same, and display device comprising the same | LG CHEM., LTD. (KR) | 2009-11-19 | — | — | US | disclosed |