⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2016950 | 0.81 | CA2 (0.32) | — | |
| SCHEMBL92901 | 0.75 | — | — | |
| SCHEMBL19302356 | 0.71 | — | — | |
| SCHEMBL7645284 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL27921339 | 0.71 | — | — | |
| SCHEMBL750132 | 0.71 | CA2 (0.37) | — | |
| Chloromethane SCHEMBL27722511 | 0.71 | — | — | |
| SCHEMBL28854542 | 0.69 | CA2 (0.32) | — | |
| SCHEMBL18480131 | 0.67 | — | — | |
| Diallylsulfone SCHEMBL9947 | 0.67 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220409589-A1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | GENZYME CORP (US) | 2022-12-29 | — | — | US | disclosed |
| US-20140200209-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | VIIV HEALTHCARE COMPANY (US) | 2014-07-17 | — | — | US | disclosed |
| US-20130172559-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | VIIV HEALTHCARE COMPANY (US) | 2013-07-04 | — | — | US | disclosed |
| US-8084460-B2 | 6,7-unsaturated-7-carbamoyl substituted morphinan derivative | SHIONOGI & CO., LTD. (JP) | 2011-12-27 | — | — | US | disclosed |
| US-20110172415-A1 | NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP | SHIONOGI & CO., LTD. (JP) | 2011-07-14 | — | — | US | disclosed |
| US-7935706-B2 | Nitrogen-containing heterocycle derivatives substituted with cyclic group | SHIONOGI & CO., LTD. (JP) | 2011-05-03 | — | — | US | disclosed |
| US-20090203723-A1 | 6,7-unsaturated-7-carbamoyl substituted morphinan derivative | SHIONOGI & CO., LTD. (JP) | 2009-08-13 | — | — | US | disclosed |
| US-5589439-A | HERBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 1996-12-31 | — | — | US | disclosed |
| EP-0695748-A1 | Tetrazolinone herbicides | NIHON BAYER AGROCHEM K.K. (JP) | 1996-02-07 | — | — | EP | disclosed |