⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27648548 | 0.77 | — | — | |
| SCHEMBL28324194 | 0.75 | — | — | |
| SCHEMBL1207010 | 0.62 | — | — | |
| SCHEMBL23976644 | 0.62 | — | — | |
| SCHEMBL8692973 | 0.62 | — | — | |
| SCHEMBL29047936 | 0.60 | — | — | |
| SCHEMBL8334571 | 0.59 | — | — | |
| SCHEMBL5787030 | 0.58 | — | — | |
| SCHEMBL10528736 | 0.57 | — | — | |
| SCHEMBL1208220 | 0.57 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101316846-A | Novel azetidine compounds useful in the treatment of functional gastrointestinal disorders, IBS and functional dyspepsia | ASTRAZENECA AB (SE) | 2008-12-03 | — | — | CN | claimed |
| EP-2297114-B1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICALS CO (JP) | 2018-06-06 | — | — | EP | disclosed |
| CN-103328451-A | Compounds for the reduction of beta-amyloid production | BRISTOL MYERS SQUIBB CO | 2013-09-25 | — | — | CN | disclosed |
| CN-101573357-B | Indole compound | TAKAEDA CHEMICAL IND LTD | 2013-01-23 | — | — | CN | disclosed |
| CN-102863432-A | Modulators of cftr | VERTEX PHARMA | 2013-01-09 | — | — | CN | disclosed |
| CN-102548557-A | Compounds for reducing beta-amyloid production | BRISTOL MYERS SQUIBB CO | 2012-07-04 | — | — | CN | disclosed |
| US-7696349-B2 | Method for asymmetric synthesis | BASF SE (DE) | 2010-04-13 | — | — | US | disclosed |
| CN-101687842-A | modulators of cftr | VERTEX PHARMA | 2010-03-31 | — | — | CN | disclosed |
| US-20090326226-A1 | METHOD FOR ASYMMETRIC SYNTHESIS | BASF AKTIENGESELLSCHAFT (DE) | 2009-12-31 | — | — | US | disclosed |
| CN-101573357-A | Indole compound | TAKEDA PHARMACEUTICAL (JP) | 2009-11-04 | — | — | CN | disclosed |
| EP-1689760-B1 | METHOD FOR ASYMMETRIC SYNTHESIS | BASF SE (DE) | 2009-10-28 | — | — | EP | disclosed |
| US-20090227801-A1 | LIGANDS FOR USE IN ASYMMETRIC HYDROFORMYLATION | BASF AKTIENGESELLSCHAFT (DE) | 2009-09-10 | — | — | US | disclosed |
| CN-101392001-A | Carboxamides derivates, preparation method thereof and use on medicine | SHANGHAI HENGRUI MEDICAL CO LT (CN) | 2009-03-25 | — | — | CN | disclosed |
| CN-101316846-A | Novel azetidine compounds useful in the treatment of functional gastrointestinal disorders, IBS and functional dyspepsia | ASTRAZENECA AB (SE) | 2008-12-03 | — | — | CN | disclosed |
| US-7442842-B2 | Method for asymmetric synthesis | BASF SE (DE) | 2008-10-28 | — | — | US | disclosed |
| US-20070073092-A1 | Method for asymmetric synthesis | BASF AKTIENGESELLSCHAFT (DE) | 2007-03-29 | — | — | US | disclosed |