⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10129163 | 0.97 | SLC6A4 (0.42) | — | |
| SCHEMBL20289519 | 0.97 | SLC6A4 (0.42) | — | |
| SCHEMBL9966036 | 0.94 | — | — | |
| SCHEMBL4685793 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL2018787 | 0.85 | — | — | |
| SCHEMBL22292122 | 0.78 | CYP1A2 (0.31) | — | |
| SCHEMBL8918108 | 0.78 | SLC6A4 (0.30) | — | |
| SCHEMBL24258295 | 0.76 | — | — | |
| SCHEMBL15731753 | 0.76 | TAAR1 (0.30) | — | |
| SCHEMBL14139395 | 0.76 | KDM4E (0.34) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160257686-A1 | Purinone Derivatives as Tyrosine Kinase Inhibitors | PRINCIPIA BIOPHARMA INC. (US) | 2016-09-08 | — | — | US | disclosed |
| US-20140142099-A1 | Purinone Derivatives as Tyrosine Kinase Inhibitors | PRINCIPIA BIOPHARMA INC. (US) | 2014-05-22 | — | — | US | disclosed |
| EP-1409463-B1 | N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION | BRISTOL MYERS SQUIBB CO (US) | 2010-02-24 | — | — | EP | disclosed |
| EP-1409463-B1 | N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION | BRISTOL MYERS SQUIBB CO (US) | 2010-02-24 | — | — | EP | disclosed |
| EP-1242385-B1 | CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS | PHARMACOPEIA INC (US) | 2009-11-25 | — | — | EP | disclosed |
| EP-1242385-B1 | CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS | PHARMACOPEIA INC (US) | 2009-11-25 | — | — | EP | disclosed |
| US-7479495-B2 | N-heterocyclic inhibitors of TNF-α expression | PHARMACOPEIA, INC. (US) | 2009-01-20 | — | — | US | disclosed |
| US-7479495-B2 | N-heterocyclic inhibitors of TNF-α expression | PHARMACOPEIA, INC. (US) | 2009-01-20 | — | — | US | disclosed |
| US-7479495-B2 | N-heterocyclic inhibitors of TNF-α expression | PHARMACOPEIA, INC. (US) | 2009-01-20 | — | — | US | disclosed |
| US-20050239770-A1 | N-heterocyclic inhibitors of TNF-alpha expression | MORIARTY KEVIN J | 2005-10-27 | — | — | US | disclosed |
| US-6906067-B2 | N-heterocyclic inhibitors of TNF-α expression | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-06-14 | — | — | US | disclosed |
| US-20020137747-A1 | N- heterocyclic inhibitors of TNF-alpha expression | PHARMACEOPEIA, INC. | 2002-09-26 | — | — | US | disclosed |
| US-20020065270-A1 | N-heterocyclic inhibitors of TNF-alpha expression | PHARMACOPEIA, INC. | 2002-05-30 | — | — | US | disclosed |