⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18130705 | 0.89 | — | — | |
| SCHEMBL31400388 | 0.75 | ADRB2 (0.31) | — | |
| Acetone SCHEMBL27557244 | 0.74 | — | — | |
| SCHEMBL2552598 | 0.71 | GBA1 (0.32) | — | |
| SCHEMBL29696828 | 0.70 | NR5A1 (0.30) | — | |
| SCHEMBL9578593 | 0.70 | — | — | |
| SCHEMBL9272470 | 0.69 | TP53 (0.33) | — | |
| SCHEMBL27986241 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL27865066 | 0.68 | — | — | |
| SCHEMBL27626499 | 0.68 | PLA2G2A (0.35) | — |
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-6441023-B1 | FOR THERAPY OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION | AMERICAN HOME PRODUCTS CORPORATION | 2002-08-27 | — | — | US | disclosed |
| US-20020032186-A1 | N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors | AMERICAN CYANAMID COMPANY (US) | 2002-03-14 | — | — | US | disclosed |