⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL250684 | 0.90 | MAPT (0.35) | — | |
| SCHEMBL244576 | 0.85 | POLB (0.37) | — | |
| SCHEMBL254910 | 0.75 | NPC1 (0.34) | — | |
| SCHEMBL15102881 | 0.72 | LMNA (0.35) | — | |
| SCHEMBL246577 | 0.71 | POLB (0.32) | — | |
| SCHEMBL246578 | 0.71 | POLB (0.32) | — | |
| SCHEMBL15093354 | 0.71 | SYK (0.33) | — | |
| SCHEMBL15093346 | 0.71 | SYK (0.33) | — | |
| SCHEMBL15093748 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL244467 | 0.71 | SYK (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 |
|---|---|---|---|---|---|---|---|
| WO-2013103724-A1 | 2- (TERT - BUTOXY) -2- (7 -METHYLQUINOLIN- 6 - YL) ACETIC ACID DERIVATIVES FOR TREATING AIDS | GILEAD SCIENCES, INC. (US) | 2013-07-11 | — | — | WO | disclosed |