⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL140296 | 1.00 | — | — | |
| SCHEMBL16712669 | 1.00 | — | — | |
| SCHEMBL20610565 | 0.92 | TSHR (0.33) | — | |
| SCHEMBL9496745 | 0.92 | TSHR (0.33) | — | |
| SCHEMBL1270592 | 0.89 | TRPA1 (0.32) | — | |
| SCHEMBL26111758 | 0.89 | SHBG (0.50) | — | |
| SCHEMBL8671923 | 0.88 | — | — | |
| SCHEMBL20627575 | 0.88 | — | — | |
| SCHEMBL26088040 | 0.88 | — | — | |
| SCHEMBL6092895 | 0.88 | — | — |
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-20230339851-A1 | CXCR6 SULFONAMIDE COMPOUNDS | CHEMOCENTRYX, INC. | 2023-10-26 | — | — | US | disclosed |
| US-8895585-B2 | Nicotinamide derivative or salt thereof | FUJIFILM CORPORATION (JP) | 2014-11-25 | — | — | US | disclosed |
| US-8809371-B2 | — | — | 2014-08-19 | — | — | US | disclosed |
| US-20130116430-A1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | FUJIFILM CORPORATION (JP) | 2013-05-09 | — | — | US | disclosed |
| EP-2010185-B1 | DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS | BOEHRINGER INGELHEIM INT (DE) | 2012-06-13 | — | — | EP | disclosed |
| EP-1505963-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-04-20 | — | — | EP | disclosed |
| WO-2009052138-A1 | PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |
| WO-2007118793-A1 | DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-10-25 | — | — | WO | disclosed |