⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22417758 | 1.00 | — | — | |
| SCHEMBL8181997 | 0.70 | OPRK1 (0.33) | — | |
| SCHEMBL56080 | 0.69 | TSHR (0.36) | — | |
| SCHEMBL17304275 | 0.69 | TSHR (0.36) | — | |
| SCHEMBL31570408 | 0.67 | MAPT (0.32) | — | |
| SCHEMBL126707 | 0.66 | — | — | |
| SCHEMBL126686 | 0.66 | — | — | |
| SCHEMBL127016 | 0.66 | — | — | |
| SCHEMBL18346705 | 0.65 | — | — | |
| SCHEMBL5307808 | 0.65 | GPR119 (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9527827-B2 | C-9 oxygen functionalized labdane derivates | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2016-12-27 | — | — | US | disclosed |
| US-20140171498-A1 | C-9 OXYGEN FUNCTIONALIZED LABDANE DERIVATES | Council of Scientific & Indusrtial Reasearch (IN) | 2014-06-19 | — | — | US | disclosed |