⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8380419 | 1.00 | — | — | |
| SCHEMBL24734765 | 0.82 | — | — | |
| SCHEMBL15782449 | 0.82 | HTR2C (0.31) | — | |
| SCHEMBL16411427 | 0.81 | — | — | |
| SCHEMBL12524756 | 0.80 | — | — | |
| SCHEMBL21729306 | 0.80 | — | — | |
| SCHEMBL12237117 | 0.80 | CA1 (0.34) | — | |
| SCHEMBL21781774 | 0.78 | NOS3 (0.30) | — | |
| SCHEMBL7919916 | 0.78 | — | — | |
| SCHEMBL18896334 | 0.73 | — | — |
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-5858212-A | LIGHT END PETROLEUM VAPORS. IN THE WATER PHASE, THE SULFUR COMPOUNDS REACT WITH THE AVAILABLE ALKALINITY FROM THE DOLOMITIC LIME AND DIBASIC ACID | INTERGLOBAL DESULFURUZATIONS SYSTEMS, INC. (US) | 1999-01-12 | — | — | US | disclosed |