⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7367155 | 1.00 | — | — | |
| SCHEMBL321717 | 0.83 | SMN1; SMN2 (0.59) | — | |
| SCHEMBL28556984 | 0.80 | SMN1; SMN2 (0.57) | — | |
| SCHEMBL28565605 | 0.80 | SMN1; SMN2 (0.57) | — | |
| SCHEMBL29444862 | 0.80 | SMN1; SMN2 (0.57) | — | |
| SCHEMBL29444829 | 0.80 | SMN1; SMN2 (0.57) | — | |
| SCHEMBL7349983 | 0.73 | — | — | |
| SCHEMBL10920917 | 0.73 | — | — | |
| SCHEMBL7349985 | 0.73 | — | — | |
| SCHEMBL7318722 | 0.72 | HPGD (0.69) | — |
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-6380218-B1 | FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL | PFIZER INC | 2002-04-30 | — | — | US | disclosed |
| EP-0971894-A1 | NICOTINAMIDE DERIVATIVES | Pfizer Products Inc. (US) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998045268-A1 | NICOTINAMIDE DERIVATIVES | PFIZER PRODUCTS INC. (US) | 1998-10-15 | — | — | WO | disclosed |