⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16720550 | 1.00 | — | — | |
| SCHEMBL17182872 | 1.00 | — | — | |
| SCHEMBL2701262 | 0.82 | FUCA1 (0.37) | — | |
| SCHEMBL17818969 | 0.80 | FUCA1 (0.32) | — | |
| SCHEMBL2007619 | 0.77 | CYP1A2 (0.43) | — | |
| SCHEMBL17310987 | 0.77 | CYP1A2 (0.43) | — | |
| SCHEMBL2034305 | 0.77 | CYP1A2 (0.43) | — | |
| Hydrochloric Acid SCHEMBL3665520 | 0.75 | CYP1A2 (0.42) | — | |
| Hydrochloric Acid SCHEMBL2007789 | 0.75 | CYP1A2 (0.42) | — | |
| SCHEMBL16789822 | 0.74 | — | — |
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-20230159517-A1 | CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS | MERCK SHARP & DOHME LLC (US) | 2023-05-25 | — | — | US | disclosed |
| CN-105793261-B | pyrazolopyrimidine compounds | 大学健康网络 | 2018-11-30 | — | — | CN | disclosed |