⚠ 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 | |
|---|---|---|---|---|
| Octane SCHEMBL1585515 | 0.94 | TSHR (1.00) | — | |
| Dodecane SCHEMBL5289572 | 0.94 | TSHR (1.00) | — | |
| Hexadecane SCHEMBL22136 | 0.94 | TSHR (1.00) | — | |
| Tetradecane SCHEMBL25387874 | 0.94 | TSHR (1.00) | — | |
| Hexadecane SCHEMBL23499901 | 0.94 | TSHR (1.00) | — | |
| Decane SCHEMBL23499900 | 0.94 | TSHR (1.00) | — | |
| Tetradecane SCHEMBL23924271 | 0.94 | TSHR (1.00) | — | |
| SCHEMBL23854647 | 0.94 | TSHR (1.00) | — | |
| SCHEMBL11854960 | 0.94 | TSHR (1.00) | — | |
| Undecane SCHEMBL20767628 | 0.94 | TSHR (1.00) | — |
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-20110015263-A1 | THERAPEUTIC DELIVERY OF CARBON MONOXIDE | HEMOCORM LIMITED | 2011-01-20 | — | — | US | disclosed |