⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22575579 | 0.88 | MEN1 (0.35) | — | |
| SCHEMBL27502249 | 0.84 | CES1 (0.36) | — | |
| SCHEMBL12654720 | 0.83 | — | — | |
| SCHEMBL6748303 | 0.83 | — | — | |
| SCHEMBL8573776 | 0.81 | SQLE (0.43) | — | |
| SCHEMBL8573777 | 0.81 | SQLE (0.43) | — | |
| SCHEMBL11831125 | 0.80 | CES2 (0.41) | — | |
| SCHEMBL11053685 | 0.80 | CES2 (0.41) | — | |
| SCHEMBL1389553 | 0.77 | SQLE (0.41) | — | |
| SCHEMBL1389555 | 0.77 | SQLE (0.41) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9682111-B2 | Method for preventing or treating neurodegenerative diseases | SU WEIWEI (CN) | 2017-06-20 | — | — | US | disclosed |
| US-9527827-B2 | C-9 oxygen functionalized labdane derivates | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2016-12-27 | — | — | US | disclosed |
| US-9527827-B2 | C-9 oxygen functionalized labdane derivates | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2016-12-27 | — | — | US | disclosed |
| US-20160082059-A1 | METHOD FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASES | SU WEIWEI (CN) | 2016-03-24 | — | — | US | disclosed |
| US-20140171498-A1 | C-9 OXYGEN FUNCTIONALIZED LABDANE DERIVATES | Council of Scientific & Indusrtial Reasearch (IN) | 2014-06-19 | — | — | US | disclosed |
| US-20140171498-A1 | C-9 OXYGEN FUNCTIONALIZED LABDANE DERIVATES | Council of Scientific & Indusrtial Reasearch (IN) | 2014-06-19 | — | — | US | disclosed |