⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL28865685 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL797931 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL18045366 | 0.77 | CA12 (0.32) | — | |
| SCHEMBL5554074 | 0.75 | CA12 (0.35) | — | |
| SCHEMBL2840847 | 0.74 | — | — | |
| SCHEMBL4793302 | 0.73 | — | — | |
| SCHEMBL974911 | 0.73 | TSHR (0.36) | — | |
| SCHEMBL11512459 | 0.72 | — | — | |
| SCHEMBL3103595 | 0.71 | TSHR (0.36) | — | |
| SCHEMBL6223484 | 0.70 | — | — |
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-5026717-A | Glutamate inhibitors | RHONE-POULENC SANTE (FR) | 1991-06-25 | — | — | US | disclosed |