⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17732612 | 0.82 | ALDH1A1 (0.44) | — | |
| SCHEMBL212626 | 0.82 | — | — | |
| SCHEMBL1290871 | 0.82 | ALDH1A1 (0.75) | — | |
| SCHEMBL15040990 | 0.79 | ALDH1A1 (0.50) | — | |
| SCHEMBL7599553 | 0.79 | — | — | |
| SCHEMBL26135085 | 0.78 | ALDH1A1 (0.69) | — | |
| Ammonia Solution, Strong SCHEMBL17238883 | 0.78 | ALDH1A1 (0.69) | — | |
| SCHEMBL10790523 | 0.78 | ALDH1A1 (0.83) | — | |
| Bromide SCHEMBL30558707 | 0.78 | ALDH1A1 (0.69) | — | |
| Ethane SCHEMBL16673103 | 0.78 | ALDH1A1 (0.50) | — |
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-5373095-A | Steroid compounds | THE UPJOHN COMPANY (US) | 1994-12-13 | — | — | US | disclosed |
| US-5334712-A | Estrane or androstane pyridinyl alkyl or alkylphenyl amine steroids for antidiabetes and obesity | THE UPJOHN COMPANY (US) | 1994-08-02 | — | — | US | disclosed |
| US-5187299-A | Phospholipase inhibitors; treating diabetes, obesity | THE UPJOHN COMPANY (US) | 1993-02-16 | — | — | US | disclosed |