⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1506053 | 0.84 | ALDH1A1 (0.48) | — | |
| SCHEMBL625298 | 0.77 | — | — | |
| SCHEMBL245633 | 0.76 | ALDH1A1 (0.48) | — | |
| SCHEMBL14289025 | 0.75 | — | — | |
| SCHEMBL5580158 | 0.75 | — | — | |
| SCHEMBL5969554 | 0.75 | TSHR (0.46) | — | |
| Hydrochloric Acid SCHEMBL8916103 | 0.75 | TSHR (0.46) | — | |
| SCHEMBL729436 | 0.74 | — | — | |
| SCHEMBL37468 | 0.74 | — | — | |
| SCHEMBL8215008 | 0.73 | ALDH1A1 (0.45) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6294163-B1 | Polymers containing guanidinium groups as bile acid sequestrants | GELTEX PHARMACEUTICALS, INC. | 2001-09-25 | — | — | US | disclosed |
| US-4914189-A | STIMULATES RELEASE OF GROWTH HORMONE | THE ADMINSTRATORS OF THE TULANE EDUCATIONAL FUND (US) | 1990-04-03 | — | — | US | disclosed |