⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL90556 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL1071602 | 0.95 | — | — | |
| Methane SCHEMBL27388130 | 0.95 | — | — | |
| Propane SCHEMBL28495593 | 0.90 | TDP1 (0.38) | — | |
| Acrylamide SCHEMBL3041177 | 0.90 | ALDH1A1 (0.52) | — | |
| Trimethylammonium SCHEMBL28033784 | 0.88 | TDP1 (0.36) | — | |
| Dimethylamine SCHEMBL28781961 | 0.88 | TDP1 (0.36) | — | |
| Glycolic Acid SCHEMBL9488458 | 0.86 | ALOX15 (0.34) | — | |
| Glycolic Acid SCHEMBL27528126 | 0.83 | TSHR (0.36) | — | |
| Pyrrole SCHEMBL28293007 | 0.83 | HTT (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120009222-A1 | MODULATION OF THE IMMUNE RESPONSE | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2012-01-12 | — | — | US | disclosed |
| WO-2010062322-A2 | MODULATION OF THE IMMUNE RESPONSE | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2010-06-03 | — | — | WO | disclosed |