⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6736338 | 0.76 | LPO (0.32) | — | |
| SCHEMBL20644462 | 0.64 | — | — | |
| SCHEMBL16322670 | 0.58 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL20014738 | 0.57 | — | — | |
| SCHEMBL9409676 | 0.56 | PIK3CD (0.32) | — | |
| SCHEMBL1390651 | 0.56 | TDP1 (0.49) | — | |
| SCHEMBL1547216 | 0.56 | TDP1 (0.49) | — | |
| SCHEMBL5431900 | 0.56 | TDP1 (0.49) | — | |
| SCHEMBL16532135 | 0.56 | LPO (0.44) | — | |
| SCHEMBL21846831 | 0.54 | CRBN (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0605393-A1 | Heterocyclic acetylenic amines having central nervous system activity | THE UPJOHN COMPANY (US) | 1994-07-06 | — | — | EP | disclosed |
| US-5225567-A | HETEROCYCLIC ACETYLENIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | THE UPJOHN COMPANY (US) | 1993-07-06 | — | — | US | disclosed |
| US-5157124-A | Improving mental performance | THE UPJOHN COMPANY (US) | 1992-10-20 | — | — | US | disclosed |
| US-5137905-A | Cholinergic agonists; analgesics; cognition activators | THE UPJOHN COMPANY (US) | 1992-08-11 | — | — | US | disclosed |
| WO-1990004588-A1 | HETEROCYCLIC ACETYLENIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | THE UPJOHN COMPANY (US) | 1990-05-03 | — | — | WO | disclosed |