⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4687719 | 1.00 | — | — | |
| SCHEMBL4687713 | 1.00 | — | — | |
| Alcohol SCHEMBL9146998 | 0.97 | BTN3A1 (0.48) | — | |
| Alcohol SCHEMBL9146448 | 0.97 | BTN3A1 (0.48) | — | |
| SCHEMBL10906327 | 0.83 | — | — | |
| SCHEMBL8473356 | 0.83 | — | — | |
| SCHEMBL8473354 | 0.83 | — | — | |
| SCHEMBL7934301 | 0.81 | BTN3A1 (0.45) | — | |
| SCHEMBL7934302 | 0.81 | BTN3A1 (0.45) | — | |
| SCHEMBL16892607 | 0.79 | EP300 (0.48) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021063831-A1 | OXIDATION OF SANTALENE TO SANTALOL | ISOBIONICS B.V. (NL) | 2021-04-08 | — | — | WO | disclosed |
| US-20160108044-A1 | COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY | MITOKININ, INC. | 2016-04-21 | — | — | US | disclosed |
| US-20160095858-A1 | Modulators of Cystic Fibrosis Transmembrane Conductance Regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-04-07 | — | — | US | disclosed |
| US-20130018018-A1 | NOVEL NUCLEOSIDE PHOSPHONATES AND ANALOGS | Epiphany Biosciences ,Inc. (US) | 2013-01-17 | — | — | US | disclosed |
| US-5426206-A | Stereospecific synthesis of aldols | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1995-06-20 | — | — | US | disclosed |