⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25092 | 0.78 | — | — | |
| SCHEMBL27687695 | 0.74 | — | — | |
| SCHEMBL3398888 | 0.70 | — | — | |
| SCHEMBL8134250 | 0.68 | — | — | |
| SCHEMBL26612937 | 0.64 | ALOX12 (0.39) | — | |
| SCHEMBL5888763 | 0.64 | — | — | |
| SCHEMBL6293154 | 0.64 | MAPT (0.30) | — | |
| SCHEMBL4795496 | 0.60 | — | — | |
| SCHEMBL4795506 | 0.60 | — | — | |
| SCHEMBL4500207 | 0.59 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5620973-A | CHOLINESTERASE INHIBITOR; ALZHEIMER*S DISEASE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-04-15 | — | — | US | claimed |
| US-20060160794-A1 | Tachykinin receptor antagonists | ELI LILLY AND COMPANY | 2006-07-20 | — | — | US | disclosed |