⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL170153 | 0.76 | — | — | |
| SCHEMBL4404375 | 0.74 | — | — | |
| SCHEMBL29010773 | 0.73 | — | — | |
| SCHEMBL10783528 | 0.73 | — | — | |
| SCHEMBL9345102 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL9078744 | 0.72 | — | — | |
| SCHEMBL11802645 | 0.71 | — | — | |
| SCHEMBL11801063 | 0.71 | TDP1 (0.33) | — | |
| Trimethylammonium SCHEMBL27447179 | 0.70 | LMNA (0.46) | — | |
| SCHEMBL6507020 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6262040-B1 | Indazole derivatives and their use as inhibitors of phosphodiesterase (PDE) type IV and the production of tumor necrosis factor (TNF) | PFIZER INC | 2001-07-17 | — | — | US | disclosed |