⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10800372 | 1.00 | ALDH1A1 (0.36) | — | |
| SCHEMBL184175 | 1.00 | — | — | |
| Fluoride SCHEMBL10581757 | 0.95 | ALDH1A1 (0.33) | — | |
| Fluoride SCHEMBL28181145 | 0.95 | — | — | |
| Fluoride SCHEMBL10588127 | 0.95 | ALDH1A1 (0.33) | — | |
| SCHEMBL1736341 | 0.94 | ALDH1A1 (0.40) | — | |
| SCHEMBL30 | 0.94 | — | — | |
| SCHEMBL124190 | 0.94 | — | — | |
| SCHEMBL10619765 | 0.89 | — | — | |
| SCHEMBL7565104 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1944252-B | Process for producing 12 hydrogen 12 boric acid salt | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2011-12-14 | — | — | CN | disclosed |
| US-7718154-B2 | Process for producing boranes | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2010-05-18 | — | — | US | disclosed |
| EP-1734004-B1 | Process for producing boranes | AIR PROD & CHEM (US) | 2009-03-18 | — | — | EP | disclosed |
| CN-1944252-A | Process for producing boranes | AIR PROD & CHEM (US) | 2007-04-11 | — | — | CN | disclosed |
| US-20060286019-A1 | Process for producing boranes | AIR PRODUCTS AND CHEMICALS, INC. | 2006-12-21 | — | — | US | disclosed |
| EP-1734004-A1 | Process for producing boranes | Air Products and Chemicals, Inc. (US) | 2006-12-20 | — | — | EP | disclosed |