⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4909130 | 0.72 | — | — | |
| SCHEMBL3759300 | 0.72 | MDM2 (0.31) | — | |
| SCHEMBL69569 | 0.72 | — | — | |
| SCHEMBL1925074 | 0.71 | GOT1 (0.33) | — | |
| SCHEMBL9199874 | 0.70 | SCN9A (0.33) | — | |
| SCHEMBL4843148 | 0.68 | — | — | |
| SCHEMBL6492459 | 0.68 | — | — | |
| SCHEMBL155358 | 0.67 | KDM4E (0.52) | — | |
| SCHEMBL7237023 | 0.64 | CYP2A6 (0.52) | — | |
| SCHEMBL291290 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113613655-A | Compound and use thereof | 诺维逊生物股份有限公司 | 2021-11-05 | — | — | CN | disclosed |
| EP-2194051-B1 | Process for preparing compounds useful as intermediates for the preparation of modulators of chemokine receptor activity | BRISTOL MYERS SQUIBB CO (US) | 2011-08-31 | — | — | EP | disclosed |
| EP-1675838-A1 | 1-BENZOYL SUBSTITUTED DIAZEPINE DERIVATIVES AS SELECTIVE HISTAMINE H3 RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2006-07-05 | — | — | EP | disclosed |
| WO-2005040144-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2005-05-06 | — | — | WO | disclosed |