⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL148536 | 0.83 | — | — | |
| SCHEMBL15859 | 0.83 | TDP1 (0.75) | — | |
| SCHEMBL3853864 | 0.82 | TDP1 (0.60) | — | |
| Ammonia Solution, Strong SCHEMBL7104676 | 0.80 | TDP1 (0.71) | — | |
| SCHEMBL5129514 | 0.80 | TDP1 (0.71) | — | |
| SCHEMBL26967080 | 0.80 | TDP1 (0.71) | — | |
| SCHEMBL5131831 | 0.80 | TDP1 (0.71) | — | |
| SCHEMBL145992 | 0.79 | CYP2C19 (0.54) | — | |
| SCHEMBL185560 | 0.79 | CYP2C19 (0.54) | — | |
| SCHEMBL14943804 | 0.78 | TDP1 (0.68) | — |
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-6579889-B2 | Alzheier's diseases; antiallergens; vision defects; antihistamines; skin disorders | MERCK & CO., INC. | 2003-06-17 | — | — | US | disclosed |
| US-6403584-B1 | CONJUNCTIVITIS, ALLERGIC RHINITIS, ALZHEIMER'S DISEASE, ASTHMA, ATHEROSCLEROSIS, AUTOLOGOUS BONE MARROW TRANSPLANTATION, ANTIINFLAMMATORY, ETC | MERCK & CO., INC. | 2002-06-11 | — | — | US | disclosed |
| US-20020019419-A1 | Substituted isonipecotyl derivatives as inhibitors of cell adhesion | MERCK & CO., INC. | 2002-02-14 | — | — | US | disclosed |