⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22401113 | 1.00 | — | — | |
| SCHEMBL29523425 | 0.80 | — | — | |
| SCHEMBL17837 | 0.80 | — | — | |
| SCHEMBL709685 | 0.80 | AXL (1.00) | — | |
| SCHEMBL27753650 | 0.78 | AXL (0.95) | — | |
| Bromide SCHEMBL27394282 | 0.78 | AXL (0.95) | — | |
| SCHEMBL27692181 | 0.78 | — | — | |
| Potassium SCHEMBL30760557 | 0.78 | AXL (0.95) | — | |
| Methane SCHEMBL14738986 | 0.78 | AXL (0.95) | — | |
| Ammonia Solution, Strong SCHEMBL27486357 | 0.78 | AXL (0.95) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3941579-A1 | POSTURAL ORTHOSTATIC TACHYCARDIA SYNDROME AND CRTH2 | Amerimmune, LLC (US) | 2022-01-26 | — | — | EP | disclosed |