⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1556042 | 0.79 | ACHE (0.58) | — | |
| M-Xylene SCHEMBL1961587 | 0.78 | ACHE (0.75) | — | |
| SCHEMBL1556651 | 0.77 | — | — | |
| SCHEMBL19771822 | 0.75 | — | — | |
| SCHEMBL13284205 | 0.74 | MAP4K4 (0.45) | — | |
| SCHEMBL21695504 | 0.73 | ACHE (0.50) | — | |
| SCHEMBL7960339 | 0.73 | ALDH1A1 (0.45) | — | |
| SCHEMBL10269852 | 0.72 | ALDH1A1 (0.61) | — | |
| SCHEMBL14419899 | 0.72 | — | — | |
| M-Xylene SCHEMBL10427453 | 0.72 | ACHE (0.86) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024044098-A2 | PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS | ALEXION PHARMACEUTICALS, INC. (US) | 2024-02-29 | — | — | WO | disclosed |
| US-11083720-B2 | Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases | REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) | 2021-08-10 | — | — | US | disclosed |
| US-9567301-B2 | Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2017-02-14 | — | — | US | disclosed |
| US-20120193617-A1 | LOW-MOLECULAR COMPOUND, POLYMER, ELECTRONIC-DEVICE MATERIAL, COMPOSITION FOR ELECTRONIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC SOLAR CELL ELEMENT, DISPLAY AND LIGHTING | MITSUBISHI CHEMICAL CORPORATION (JP) | 2012-08-02 | — | — | US | disclosed |