⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL647433 | 1.00 | — | — | |
| SCHEMBL647432 | 1.00 | — | — | |
| SCHEMBL12966709 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL9426958 | 0.72 | — | — | |
| SCHEMBL13491261 | 0.70 | — | — | |
| SCHEMBL541794 | 0.70 | — | — | |
| SCHEMBL6561654 | 0.70 | — | — | |
| SCHEMBL647308 | 0.70 | — | — | |
| SCHEMBL11420015 | 0.70 | — | — | |
| SCHEMBL15840988 | 0.70 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013026852-A2 | DERIVATIVES OF MECAMYLAMINE | THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) | 2013-02-28 | — | — | WO | disclosed |
| US-8119826-B2 | Process for the preparation of beta-santalol and derivatives thereof | FIRMENICH SA (CH) | 2012-02-21 | — | — | US | disclosed |
| EP-2386537-A2 | Intermediates for the preparation of beta-santalol and derivatives thereof | FIRMENICH SA (CH) | 2011-11-16 | — | — | EP | disclosed |
| US-20110254473-A1 | ARRANGEMENT AND METHOD FOR CONTROLLING FREQUENCY CONVERTER MODULES | ABB OY (FI) | 2011-10-20 | — | — | US | disclosed |
| EP-2282985-B1 | PROCESS FOR THE PREPARATION OF BETA-SANTALOL AND DERIVATIVES THEREOF | FIRMENICH & CIE (CH) | 2011-10-05 | — | — | EP | disclosed |
| US-20110118497-A1 | PROCESS FOR THE PREPARATION OF BETA-SANTALOL AND DERIVATIVES THEREOF | FIRMENICH SA | 2011-05-19 | — | — | US | disclosed |
| US-7902393-B2 | Process for the preparation of β-santalol and derivatives thereof | FIRMENICH SA (CH) | 2011-03-08 | — | — | US | disclosed |
| EP-2282985-A1 | PROCESS FOR THE PREPARATION OF BETA-SANTALOL AND DERIVATIVES THEREOF | Firmenich SA (CH) | 2011-02-16 | — | — | EP | disclosed |
| US-20110028750-A1 | PROCESS FOR THE PREPARATION OF BETA-SANTALOL AND DERIVATIVES THEREOF | FIRMENICH SA (CH) | 2011-02-03 | — | — | US | disclosed |
| WO-2009141781-A1 | PROCESS FOR THE PREPARATION OF BETA-SANTALOL AND DERIVATIVES THEREOF | FIRMENICH SA (CH) | 2009-11-26 | — | — | WO | disclosed |