⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9646 | 0.97 | — | — | |
| SCHEMBL71779 | 0.97 | — | — | |
| SCHEMBL9720250 | 0.97 | — | — | |
| SCHEMBL1018939 | 0.97 | — | — | |
| SCHEMBL5694752 | 0.93 | — | — | |
| SCHEMBL2287459 | 0.93 | — | — | |
| SCHEMBL9325605 | 0.93 | — | — | |
| Water SCHEMBL7065104 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL209038 | 0.93 | — | — | |
| SCHEMBL10401525 | 0.93 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8212049-B2 | Electronically tuned ligands for asymmetric hydrogenation | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-07-03 | — | — | US | disclosed |
| US-20110257393-A1 | Electronically Tuned Ligands For Asymmetric Hydrogenation | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-20 | — | — | US | disclosed |
| US-7994335-B2 | Electronically tuned ligands for asymmetric hydrogenation | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-09 | — | — | US | disclosed |
| US-20100041898-A1 | Electronically Tuned Ligands For Asymmetric Hydrogenation | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-02-18 | — | — | US | disclosed |
| WO-2008067218-A1 | ELECTRONICALLY TUNED LIGANDS FOR ASYMMETRIC HYDROGENATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-06-05 | — | — | WO | disclosed |