⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28131304 | 0.79 | — | — | |
| SCHEMBL6988994 | 0.79 | — | — | |
| SCHEMBL6027845 | 0.67 | — | — | |
| SCHEMBL27999850 | 0.66 | — | — | |
| SCHEMBL6472372 | 0.64 | — | — | |
| SCHEMBL5326674 | 0.64 | — | — | |
| SCHEMBL11316703 | 0.62 | — | — | |
| SCHEMBL1139862 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL14676292 | 0.62 | — | — | |
| SCHEMBL3884355 | 0.62 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2344505-A2 | INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF | Abbott Laboratories (US) | 2011-07-20 | — | — | EP | disclosed |
| WO-2010036998-A2 | INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF | ABBOTT LABORATORIES (US) | 2010-04-01 | — | — | WO | disclosed |
| EP-1987030-A1 | 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS | Pfizer Limited (GB) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007093901-A1 | 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS | PFIZER LIMITED (GB) | 2007-08-23 | — | — | WO | disclosed |
| WO-2006138734-A1 | TRIAZOLOPYRIMIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-12-28 | — | — | WO | disclosed |