⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL27972372 | 0.97 | — | — | |
| SCHEMBL5130 | 0.96 | — | — | |
| SCHEMBL3631703 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL311111 | 0.93 | — | — | |
| Water SCHEMBL8442981 | 0.93 | — | — | |
| SCHEMBL27365593 | 0.93 | TSHR (0.41) | — | |
| SCHEMBL9379027 | 0.93 | TSHR (0.41) | — | |
| Hydrochloric Acid SCHEMBL954920 | 0.93 | — | — | |
| Bromide SCHEMBL9806141 | 0.93 | — | — | |
| SCHEMBL27957702 | 0.93 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101432275-B | Inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 | LILLY CO ELI | 2013-10-30 | — | — | CN | disclosed |
| CN-102617447-A | Synthesis method of 4-(toluene-4-sulfonyl oxygen) piperidine-1- carboxylic tert-butyl ester | LANZHOU WANHAO BIOLOG TECHNOLOGY CO LTD | 2012-08-01 | — | — | CN | disclosed |
| EP-2394993-A2 | NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME | Dong Wha Pharm. Co., Ltd. (KR) | 2011-12-14 | — | — | EP | disclosed |
| CN-101432275-A | Inhibitors of 11-beta-hydroxysteroid dehydrosensitine 1 | LILLY CO ELI (US) | 2009-05-13 | — | — | CN | disclosed |