⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL501109 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL31313142 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL1311176 | 0.78 | — | — | |
| SCHEMBL3822630 | 0.76 | — | — | |
| SCHEMBL19346087 | 0.76 | — | — | |
| SCHEMBL358612 | 0.76 | — | — | |
| SCHEMBL9971270 | 0.76 | — | — | |
| SCHEMBL18590773 | 0.74 | LOXL2 (0.52) | — | |
| SCHEMBL17184443 | 0.73 | LOXL2 (0.61) | — | |
| SCHEMBL7075024 | 0.73 | LOXL2 (0.50) | — |
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-5434264-A | α,α-disubstituted aromatics and heteroaromatics as cognition enhancers | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-07-18 | — | — | US | disclosed |