⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10984000 | 0.88 | MC4R (0.37) | — | |
| SCHEMBL1821043 | 0.87 | — | — | |
| SCHEMBL25328825 | 0.87 | — | — | |
| SCHEMBL1990171 | 0.84 | — | — | |
| SCHEMBL375245 | 0.80 | — | — | |
| SCHEMBL1568137 | 0.80 | — | — | |
| SCHEMBL14931661 | 0.78 | CARM1 (0.31) | — | |
| SCHEMBL4324165 | 0.76 | LTA4H (0.37) | — | |
| SCHEMBL4499364 | 0.73 | HSD11B1 (0.33) | — | |
| SCHEMBL3910163 | 0.72 | MEN1 (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4110328-A | Bis-carbamylguanidinoazaalkane antimicrobial compounds | COOPER LABORATORIES, INC. (US) | 1978-08-29 | — | — | US | claimed |
| US-4166827-A | DENTAL PLAQUE | COOPER LABORATORIES, INC. (US) | 1979-09-04 | — | — | US | disclosed |
| US-4110328-A | Bis-carbamylguanidinoazaalkane antimicrobial compounds | COOPER LABORATORIES, INC. (US) | 1978-08-29 | — | — | US | disclosed |