⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11970000 | 0.83 | HTT (0.42) | — | |
| SCHEMBL1286486 | 0.82 | — | — | |
| SCHEMBL33704 | 0.81 | HTT (0.49) | — | |
| SCHEMBL6446554 | 0.79 | — | — | |
| SCHEMBL948033 | 0.79 | — | — | |
| SCHEMBL4062320 | 0.79 | — | — | |
| Ethylene SCHEMBL8740481 | 0.79 | HTT (0.47) | — | |
| SCHEMBL7059955 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL9482955 | 0.77 | — | — | |
| SCHEMBL5697728 | 0.77 | HTT (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1996589-A1 | CHROMANE DERIVATIVES | RaQualia Pharma Inc (JP) | 2008-12-03 | — | — | EP | disclosed |
| WO-2008059373-A1 | IMIDAZO [1, 2-A] PYRAZINE DERIVATIVES AND THEIR USE AS ACID PUMP ANTAGONISTS | RAQUALIA PHARMA INC. (JP) | 2008-05-22 | — | — | WO | disclosed |
| WO-2007107827-A1 | CHROMANE DERIVATIVES | RAQUALIA PHARMA INC. (JP) | 2007-09-27 | — | — | WO | disclosed |
| US-20070219237-A1 | Chromane Derivatives | PFIZER INC | 2007-09-20 | — | — | US | disclosed |