⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5586257 | 0.89 | DNM1 (0.42) | — | |
| SCHEMBL3511796 | 0.89 | DNM1 (0.42) | — | |
| SCHEMBL5586240 | 0.89 | DNM1 (0.42) | — | |
| SCHEMBL6931904 | 0.81 | — | — | |
| SCHEMBL819370 | 0.81 | TSHR (0.30) | — | |
| SCHEMBL21874813 | 0.81 | TSHR (0.30) | — | |
| SCHEMBL22996729 | 0.78 | — | — | |
| SCHEMBL14135729 | 0.77 | — | — | |
| SCHEMBL27831691 | 0.74 | — | — | |
| SCHEMBL820002 | 0.73 | TSHR (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0913388-A1 | Hydrogenation of nitriles to produce amines | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1999-05-06 | — | — | EP | claimed |
| US-5869653-A | USING SPONGE OR RANEY COBALT CATALYST; AMMONIA-FREE REACTION | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1999-02-09 | — | — | US | claimed |
| US-8580921-B2 | Protein nanorings | UNIVERSITY OF MINNESOTA (US) | 2013-11-12 | — | — | US | disclosed |
| US-20130059359-A1 | Protein Nanorings | UNIVERSITY OF MINNESOTA (US) | 2013-03-07 | — | — | US | disclosed |
| US-8236925-B1 | Protein nanorings | UNIVERSITY OF MINNESOTA (US) | 2012-08-07 | — | — | US | disclosed |
| WO-2007091817-A1 | ANION RECEPTOR, AND ELECTROLYTE USING THE SAME | KIM HEE JUNG (KR) | 2007-08-16 | — | — | WO | disclosed |