⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL182433 | 0.93 | CYP1A2 (0.43) | — | |
| SCHEMBL366848 | 0.85 | — | — | |
| SCHEMBL2962933 | 0.81 | CYP1A2 (0.41) | — | |
| SCHEMBL65000 | 0.78 | CYP1A2 (0.53) | — | |
| SCHEMBL2965739 | 0.77 | MAPK1 (0.33) | — | |
| SCHEMBL11501745 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL1582285 | 0.75 | CYP1A2 (0.40) | — | |
| SCHEMBL8021435 | 0.74 | CYP1A2 (0.50) | — | |
| Hydrochloric Acid SCHEMBL2139422 | 0.74 | CYP1A2 (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL5964780 | 0.74 | CYP1A2 (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 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 |