⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4986090 | 1.00 | — | — | |
| Toluene SCHEMBL5000851 | 0.84 | LMNA (0.32) | — | |
| SCHEMBL2174728 | 0.80 | — | — | |
| SCHEMBL2174724 | 0.80 | — | — | |
| SCHEMBL7595079 | 0.80 | CA2 (0.36) | — | |
| SCHEMBL15490985 | 0.79 | — | — | |
| SCHEMBL16796788 | 0.79 | — | — | |
| SCHEMBL16796789 | 0.79 | — | — | |
| SCHEMBL4936168 | 0.78 | ADH1B (0.36) | — | |
| SCHEMBL1521495 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120122816-A1 | COMPOSITIONS AND METHODS FOR ORGAN PRESERVATION | RESOLVYX PHARMACEUTICALS, INC. (US) | 2012-05-17 | — | — | US | disclosed |
| US-20110245528-A1 | THERAPEUTIC COMPOUNDS | SCHWARTZ C ERIC | 2011-10-06 | — | — | US | disclosed |
| US-20110190242-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASE | RESOLVYX PHARMACEUTICALS, INC. (US) | 2011-08-04 | — | — | US | disclosed |
| US-5336771-A | Certain 3,4-dihydro-2H-pyrano[2,3-b]pyridines | PFIZER INC. (US) | 1994-08-09 | — | — | US | disclosed |