⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10260783 | 1.00 | — | — | |
| SCHEMBL16448402 | 0.89 | — | — | |
| SCHEMBL10261589 | 0.79 | — | — | |
| SCHEMBL6847773 | 0.79 | — | — | |
| SCHEMBL10261114 | 0.74 | — | — | |
| SCHEMBL6848113 | 0.74 | — | — | |
| SCHEMBL10292104 | 0.74 | — | — | |
| SCHEMBL10261186 | 0.73 | ESR1 (0.33) | — | |
| SCHEMBL10261122 | 0.73 | ESR1 (0.33) | — | |
| SCHEMBL6848651 | 0.73 | ESR1 (0.33) | — |
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-20120172348-A1 | STEROL DERIVATIVE | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2012-07-05 | — | — | US | disclosed |
| EP-2457923-A1 | STEROL DERIVATIVE | Kyowa Hakko Kirin Co., Ltd. (JP) | 2012-05-30 | — | — | EP | disclosed |
| WO-2011010682-A1 | STEROL DERIVATIVE | 協和発酵キリン株式会社 (JP) | 2011-01-27 | — | — | WO | disclosed |