⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8596682 | 0.87 | — | — | |
| SCHEMBL1652384 | 0.85 | — | — | |
| SCHEMBL11501524 | 0.81 | — | — | |
| SCHEMBL5000489 | 0.74 | — | — | |
| SCHEMBL6491790 | 0.74 | — | — | |
| SCHEMBL84475 | 0.69 | — | — | |
| SCHEMBL3815834 | 0.67 | TSHR (0.62) | — | |
| SCHEMBL8312541 | 0.64 | — | — | |
| SCHEMBL7161671 | 0.62 | ALDH1A1 (0.36) | — | |
| SCHEMBL1241816 | 0.61 | — | — |
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-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 |