⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL430949 | 0.81 | — | — | |
| SCHEMBL1289421 | 0.78 | MEN1 (0.32) | — | |
| SCHEMBL419805 | 0.78 | MEN1 (0.32) | — | |
| SCHEMBL431029 | 0.73 | — | — | |
| SCHEMBL292853 | 0.73 | — | — | |
| SCHEMBL7534213 | 0.71 | — | — | |
| SCHEMBL5579 | 0.71 | — | — | |
| SCHEMBL28175 | 0.71 | — | — | |
| SCHEMBL8319543 | 0.71 | — | — | |
| SCHEMBL514216 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014137420-A1 | RECEPTOR AND KINASE MODULATOR SCREENING METHODS | Harbor Therapeutics, Inc. (US) | 2014-09-12 | — | — | WO | disclosed |
| EP-2667876-A2 | METHODS AND COMPOUNDS FOR PREPARING 3ALPHA-OXYGEN SUBSTITUTED STEROIDS | Harbor BioSciences, Inc. (US) | 2013-12-04 | — | — | EP | disclosed |
| US-20120214987-A1 | METHODS AND COMPOUNDS FOR PREPARING 3ALPHA-OXYGEN SUBSTITUTED STEROIDS | BIOVIE INC. | 2012-08-23 | — | — | US | disclosed |
| WO-2012083090-A2 | METHODS AND COMPOUNDS FOR PREPARING 3ALPHA-OXYGEN SUBSTITUTED STEROIDS | HARBOR BIOSCIENCES, INC. (US) | 2012-06-21 | — | — | WO | disclosed |