⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12284683 | 0.75 | KDM4E (0.32) | — | |
| SCHEMBL9409675 | 0.74 | LMNA (0.45) | — | |
| SCHEMBL2975052 | 0.71 | — | — | |
| SCHEMBL7330675 | 0.71 | — | — | |
| SCHEMBL7366522 | 0.71 | KMT2A (0.39) | — | |
| SCHEMBL9826417 | 0.65 | PLA2G7 (0.41) | — | |
| SCHEMBL11795396 | 0.65 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL2169464 | 0.64 | KDM4E (0.31) | — | |
| SCHEMBL2555704 | 0.63 | — | — | |
| SCHEMBL14119293 | 0.61 | — | — |
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 |