⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7216868 | 0.54 | GBA1 (0.35) | — | |
| Bromide SCHEMBL4652707 | 0.54 | GBA1 (0.35) | — | |
| Iodide SCHEMBL7217076 | 0.54 | GBA1 (0.35) | — | |
| SCHEMBL25385852 | 0.51 | HTT (0.33) | — | |
| SCHEMBL25861153 | 0.50 | GBA1 (0.42) | — | |
| SCHEMBL6888563 | 0.50 | — | — | |
| Butane SCHEMBL27272295 | 0.40 | — | — | |
| Butane SCHEMBL3593 | 0.38 | — | — | |
| Butane SCHEMBL2470336 | 0.38 | TSHR (0.50) | — | |
| Butane SCHEMBL8628663 | 0.38 | TSHR (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106457126-A | Improved sulfur recovery process for treating low to medium mole percent hydrogen sulfide gas feed containing BTEX in claus unit | 沙特阿拉伯石油公司 | 2017-02-22 | — | — | CN | disclosed |