⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL257362 | 1.00 | — | — | |
| SCHEMBL8266987 | 1.00 | — | — | |
| SCHEMBL19509006 | 0.78 | — | — | |
| SCHEMBL9067079 | 0.74 | — | — | |
| SCHEMBL790571 | 0.74 | — | — | |
| SCHEMBL14730226 | 0.72 | — | — | |
| SCHEMBL18570912 | 0.72 | — | — | |
| SCHEMBL18571292 | 0.72 | — | — | |
| SCHEMBL17506945 | 0.72 | — | — | |
| SCHEMBL8038487 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160031854-A1 | ACTIVATION OR REACTIVATION OF ACHE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2016-02-04 | — | — | US | disclosed |
| WO-2009133052-A1 | BENZOCYCLOHEPTANE AND BENZOXEPINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2009-11-05 | — | — | WO | disclosed |
| WO-2008100423-A1 | GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2008-08-21 | — | — | WO | disclosed |