⚠ 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 SCHEMBL11527337 | 0.98 | — | — | |
| SCHEMBL11526675 | 0.85 | MAPK1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL11524457 | 0.84 | MAPK1 (0.31) | — | |
| SCHEMBL11525286 | 0.83 | HRH2 (0.32) | — | |
| Oxalic Acid SCHEMBL11524306 | 0.79 | HRH2 (0.32) | — | |
| SCHEMBL20501735 | 0.75 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL11525577 | 0.74 | — | — | |
| SCHEMBL18281971 | 0.74 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL16136378 | 0.74 | NPSR1 (0.50) | — | |
| SCHEMBL16133692 | 0.73 | MAPT (0.40) | — |
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-4166860-A | TREATMENT OF ACHLORHYDRIA AND DYSMENORRHEA | WILLIAM H. RORER, INC. (US) | 1979-09-04 | — | — | US | claimed |
| US-4166860-A | TREATMENT OF ACHLORHYDRIA AND DYSMENORRHEA | WILLIAM H. RORER, INC. (US) | 1979-09-04 | — | — | US | disclosed |