⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6847786 | 0.89 | — | — | |
| SCHEMBL10260783 | 0.89 | — | — | |
| SCHEMBL6847773 | 0.76 | — | — | |
| SCHEMBL10261589 | 0.76 | — | — | |
| SCHEMBL10292104 | 0.71 | — | — | |
| SCHEMBL10261114 | 0.71 | — | — | |
| SCHEMBL6848113 | 0.71 | — | — | |
| SCHEMBL9290697 | 0.70 | ESR1 (0.33) | — | |
| SCHEMBL10261122 | 0.70 | ESR1 (0.33) | — | |
| SCHEMBL10261186 | 0.70 | 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 |
|---|---|---|---|---|---|---|---|
| EP-2457923-B1 | STEROL DERIVATIVE | KYOWA HAKKO KIRIN CO LTD (JP) | 2016-01-27 | — | — | EP | disclosed |
| US-20150119585-A1 | STEROL DERIVATIVE | KYOWA HAKKO KIRIN CO., LTD (JP) | 2015-04-30 | — | — | US | disclosed |
| US-8952003-B2 | Sterol derivative | KYOWA HAKKO KIRIN CO., LTD (JP) | 2015-02-10 | — | — | US | disclosed |