⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11728861 | 1.00 | SLC6A3 (0.33) | — | |
| SCHEMBL899412 | 0.97 | — | — | |
| SCHEMBL1484812 | 0.97 | — | — | |
| SCHEMBL16453950 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28032357 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL11644251 | 0.95 | — | — | |
| SCHEMBL1298622 | 0.90 | — | — | |
| SCHEMBL16453949 | 0.90 | — | — | |
| SCHEMBL6280246 | 0.90 | — | — | |
| SCHEMBL27725254 | 0.79 | CYP2D6 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0850221-A1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1998-07-01 | — | — | EP | disclosed |
| WO-1997008145-A1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1997-03-06 | — | — | WO | disclosed |