⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8186800 | 1.00 | — | — | |
| SCHEMBL8183981 | 1.00 | — | — | |
| SCHEMBL8184907 | 1.00 | — | — | |
| SCHEMBL7994470 | 0.98 | — | — | |
| SCHEMBL7994776 | 0.91 | — | — | |
| SCHEMBL11577056 | 0.83 | — | — | |
| SCHEMBL11577055 | 0.83 | — | — | |
| SCHEMBL11577058 | 0.83 | — | — | |
| SCHEMBL911047 | 0.80 | — | — | |
| SCHEMBL3966557 | 0.77 | ALDH1A1 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6277790-B1 | APPLYING PLANTS, SEEDS, SOILS OR ENVIRONMENT | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-21 | — | — | US | disclosed |
| US-6140338-A | FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS | BANYU PHARMACEUTICAL, CO., LTD. (JP) | 2000-10-31 | — | — | US | disclosed |
| EP-0916668-A1 | CHEMOKINE RECEPTOR ANTAGONISTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-05-19 | — | — | EP | disclosed |