⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9545528 | 0.68 | GSK3B (0.38) | — | |
| SCHEMBL9545525 | 0.65 | PDK2 (0.32) | — | |
| SCHEMBL9198107 | 0.60 | NFKB1 (0.46) | — | |
| SCHEMBL9198100 | 0.60 | NFKB1 (0.46) | — | |
| SCHEMBL19009214 | 0.60 | PDK2 (0.42) | — | |
| SCHEMBL20938384 | 0.59 | PDK2 (0.36) | — | |
| SCHEMBL21226328 | 0.58 | PDK2 (0.44) | — | |
| SCHEMBL30658986 | 0.58 | PDK2 (0.44) | — | |
| SCHEMBL9545138 | 0.57 | CYP19A1 (0.37) | — | |
| SCHEMBL9545130 | 0.57 | CYP19A1 (0.37) | — |
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-1993021185-A1 | SUBSTITUTED NITROGEN CONTAINING SPIRO COMPOUNDS FOR USE IN TREATING COGNITIVE DEFICITS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-10-28 | — | — | WO | disclosed |