⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17372402 | 0.62 | CYP1A2 (0.34) | — | |
| SCHEMBL17372613 | 0.59 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL546675 | 0.57 | — | — | |
| SCHEMBL617558 | 0.55 | — | — | |
| SCHEMBL1604327 | 0.55 | — | — | |
| SCHEMBL2172011 | 0.55 | — | — | |
| Butane SCHEMBL15570208 | 0.54 | HDAC1 (0.48) | — | |
| SCHEMBL28264012 | 0.48 | CHRM1 (0.44) | — | |
| SCHEMBL28264011 | 0.48 | CHRM1 (0.44) | — | |
| SCHEMBL3380215 | 0.47 | — | — |
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-9914924-B2 | Methods and compositions for treating neurological disease | UNIVERSITY OF MASSACHUSETTS (US) | 2018-03-13 | — | — | US | disclosed |
| US-9198972-B2 | Monomers and oligonucleotides comprising cycloaddition adduct(s) | ALNYLAM PHARMACEUTICALS, INC. (US) | 2015-12-01 | — | — | US | disclosed |
| US-20150232840-A1 | METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE | UNIVERSITY OF MASSACHUSETTS | 2015-08-20 | — | — | US | disclosed |
| US-20130053334-A1 | MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) | ALNYLAM PHARMACEUTICALS, INC. (US) | 2013-02-28 | — | — | US | disclosed |