⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13819397 | 0.64 | — | — | |
| SCHEMBL197685 | 0.64 | — | — | |
| SCHEMBL369085 | 0.61 | — | — | |
| SCHEMBL11230340 | 0.60 | — | — | |
| SCHEMBL29603968 | 0.60 | — | — | |
| SCHEMBL4740218 | 0.60 | — | — | |
| SCHEMBL2359652 | 0.55 | — | — | |
| SCHEMBL10414066 | 0.54 | ALDH1A1 (0.32) | — | |
| SCHEMBL28925615 | 0.52 | — | — | |
| Benzoquinone SCHEMBL2813316 | 0.52 | ALDH1A1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7553842-B2 | Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases | ARRAY BIOPHARMA INC. (US) | 2009-06-30 | — | — | US | disclosed |
| EP-1838316-A2 | MACROCYCLIC ANALOGS FOR THE TREATMENT OF IMMUNOREGULATORY DISORDERS AND RESPIRATORY DISEASES | Array Biopharma, Inc. (US) | 2007-10-03 | — | — | EP | disclosed |
| WO-2006078724-A2 | MACROCYCLIC ANALOGS FOR THE TREATMENT OF IMMUNOREGULATORY DISORDERS AND RESPIRATORY DISEASES | ARRAY BIOPHARMA NC. (US) | 2006-07-27 | — | — | WO | disclosed |
| US-20060160838-A1 | Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases | ARRAY BIOPHARMA INC. | 2006-07-20 | — | — | US | disclosed |