⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22338326 | 0.71 | — | — | |
| SCHEMBL21305084 | 0.67 | — | — | |
| SCHEMBL19189976 | 0.62 | — | — | |
| SCHEMBL18569705 | 0.62 | — | — | |
| SCHEMBL18455488 | 0.61 | — | — | |
| SCHEMBL27572101 | 0.59 | — | — | |
| SCHEMBL13827137 | 0.59 | — | — | |
| SCHEMBL18616901 | 0.59 | — | — | |
| SCHEMBL18594211 | 0.58 | — | — | |
| SCHEMBL22109641 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021028806-A1 | HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS | NOVARTIS AG (CH) | 2021-02-18 | — | — | WO | disclosed |
| EP-3310775-B1 | 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES | Bayer Pharma AG (DE) | 2020-04-01 | — | — | EP | disclosed |
| WO-2017190038-A1 | ANALOGS OF YOHIMBINE AND USES THEREOF | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2017-11-02 | — | — | WO | disclosed |
| EP-1731512-B9 | ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT | NISSAN CHEMICAL IND LTD (JP) | 2017-03-01 | — | — | EP | disclosed |
| EP-1830853-B1 | AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES | NOVARTIS AG (CH) | 2011-08-10 | — | — | EP | disclosed |