⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5077679 | 0.75 | — | — | |
| SCHEMBL1727045 | 0.75 | — | — | |
| SCHEMBL3616138 | 0.75 | — | — | |
| SCHEMBL7087282 | 0.75 | — | — | |
| SCHEMBL17536800 | 0.69 | — | — | |
| SCHEMBL3350128 | 0.69 | — | — | |
| SCHEMBL4972910 | 0.69 | — | — | |
| SCHEMBL1068808 | 0.66 | — | — | |
| SCHEMBL6625852 | 0.58 | — | — | |
| SCHEMBL7112654 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7037931-B2 | Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-05-02 | — | — | US | claimed |
| EP-2665731-A1 | FUSED AMINODIHYDROTHIAZINE DERIVATIVES | Eisai R&D Management Co., Ltd. (JP) | 2013-11-27 | — | — | EP | disclosed |
| WO-2012098461-A1 | FUSED AMINODIHYDROTHIAZINE DERIVATIVES | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2012-07-26 | — | — | WO | disclosed |
| WO-2008039829-A2 | DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2008-04-03 | — | — | WO | disclosed |