⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11844475 | 0.90 | GPR35 (0.31) | — | |
| SCHEMBL11844269 | 0.88 | GPR35 (0.30) | — | |
| SCHEMBL11842221 | 0.88 | GPR35 (0.30) | — | |
| SCHEMBL11837240 | 0.86 | — | — | |
| SCHEMBL11832947 | 0.81 | — | — | |
| SCHEMBL11832098 | 0.81 | — | — | |
| SCHEMBL11848319 | 0.79 | GPR35 (0.33) | — | |
| SCHEMBL11833044 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL11842608 | 0.78 | CLCN2 (0.31) | — | |
| SCHEMBL11833902 | 0.78 | SIGMAR1 (0.30) | — |
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-3959488-A | 1-Substituted biguanides for treating hyperacidity or ulceration | WILLIAM H. RORER, INC. (US) | 1976-05-25 | — | — | US | disclosed |