⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2496607 | 0.88 | CHRNA7 (0.42) | — | |
| SCHEMBL5168165 | 0.88 | CHRNA7 (0.42) | — | |
| SCHEMBL1058409 | 0.88 | CHRNA7 (0.42) | — | |
| SCHEMBL3321470 | 0.86 | CHRM2 (0.31) | — | |
| SCHEMBL3317402 | 0.76 | CHRM2 (0.34) | — | |
| SCHEMBL9049373 | 0.76 | CHRM2 (0.34) | — | |
| SCHEMBL9699145 | 0.67 | CHRNB2 (0.41) | — | |
| SCHEMBL5049107 | 0.63 | CHRM2 (0.44) | — | |
| SCHEMBL17174264 | 0.62 | — | — | |
| SCHEMBL8323955 | 0.62 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017100757-A1 | METHODS FOR MAKING CATECHIN DERIVATIVES | UNIVERSITY OF SOUTH FLORIDA (US) | 2017-06-15 | — | — | WO | disclosed |
| US-20130281445-A1 | COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2013-10-24 | — | — | US | disclosed |
| US-20130281445-A1 | COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2013-10-24 | — | — | US | disclosed |
| US-5534521-A | SEROTONIN ANTAGONISTS | G. D. SEARLE & CO. (US) | 1996-07-09 | — | — | US | disclosed |
| US-5521193-A | SEROTONIN AGONISTS AND ANTAGONISTS | G. D. SEARLE & CO. (US) | 1996-05-28 | — | — | US | disclosed |
| WO-1994000454-A1 | BENZIMIDAZOLE COMPOUNDS | G.D. SEARLE & CO. (US) | 1994-01-06 | — | — | WO | disclosed |
| US-5217975-A | AZABICYCLIC COMPOUNDS FOR TREATING DEMENTIA | BEECHAM GROUP P.L.C. (GB) | 1993-06-08 | — | — | US | disclosed |
| EP-0402056-A2 | Azabicyclic compounds, process for their preparation and pharmaceutical compositions containing them | Beecham Group p.l.c. (GB) | 1990-12-12 | — | — | EP | disclosed |