⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5839546 | 0.80 | — | — | |
| SCHEMBL22068869 | 0.78 | — | — | |
| SCHEMBL2943704 | 0.78 | — | — | |
| SCHEMBL9801611 | 0.76 | MAPT (0.35) | — | |
| SCHEMBL16057561 | 0.76 | — | — | |
| SCHEMBL2555339 | 0.73 | — | — | |
| SCHEMBL4383618 | 0.73 | — | — | |
| SCHEMBL14681561 | 0.71 | — | — | |
| SCHEMBL2066341 | 0.71 | — | — | |
| SCHEMBL12446358 | 0.71 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9550737-B2 | TNF -α modulating benzimidazoles | UCB BIOPHARMA SPRL (BE) | 2017-01-24 | — | — | US | disclosed |
| EP-2948442-B1 | PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2016-10-26 | — | — | EP | disclosed |
| US-20150152065-A1 | TNF -Alpha Modulating Benzimidazoles | UCB BIOPHARMA SPRL (BE) | 2015-06-04 | — | — | US | disclosed |
| US-8877741-B2 | Pyrrolidine derivatives, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-04 | — | — | US | disclosed |
| US-20140213568-A1 | Pyrrolidine derivatives, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-31 | — | — | US | disclosed |
| CN-103492390-A | Fluorophenyl bicyclic heteroaryl compounds | NOVARTIS AG | 2014-01-01 | — | — | CN | disclosed |
| CN-102947289-A | Arylethynyl derivatives | HOFFMANN LA ROCHE | 2013-02-27 | — | — | CN | disclosed |
| WO-2012032727-A1 | STORAGE SYSTEM | NEC CORPORATION (JP) | 2012-03-15 | — | — | WO | disclosed |