⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6836679 | 0.90 | CA1 (0.40) | — | |
| SCHEMBL7736690 | 0.90 | CA1 (0.40) | — | |
| SCHEMBL60677 | 0.78 | — | — | |
| SCHEMBL60397 | 0.76 | — | — | |
| SCHEMBL131510 | 0.76 | TSHR (0.39) | — | |
| SCHEMBL7756685 | 0.75 | — | — | |
| SCHEMBL5475101 | 0.74 | — | — | |
| SCHEMBL8728504 | 0.74 | — | — | |
| SCHEMBL127317 | 0.74 | TSHR (0.40) | — | |
| Butyl Formate SCHEMBL29688477 | 0.72 | ATM (0.42) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6407064-B2 | A MORPHOLINO RING CONTAINING ALKYLAMINOALCOHOL DERIVATIVE OR SALTS USEFUL FOR TREATING NEURONAL DISEASES AND AN AGENT FOR PROTECTING BRAIN | SEIKAGAKU CORPORATION (JP) | 2002-06-18 | — | — | US | disclosed |