⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2515196 | 0.94 | HTT (0.35) | — | |
| SCHEMBL9979134 | 0.88 | ACHE (0.31) | — | |
| SCHEMBL9980606 | 0.86 | LMNA (0.31) | — | |
| SCHEMBL9979076 | 0.85 | ACHE (0.30) | — | |
| SCHEMBL9979007 | 0.85 | — | — | |
| SCHEMBL9979339 | 0.82 | BTK (0.35) | — | |
| SCHEMBL9978979 | 0.82 | TLR7 (0.36) | — | |
| SCHEMBL2511384 | 0.81 | TLR7 (0.32) | — | |
| SCHEMBL11917655 | 0.81 | TLR7 (0.32) | — | |
| SCHEMBL9979239 | 0.79 | — | — |
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-8350034-B2 | Substituted chiral fused [1,2]imidazo[4,5-C] ring compounds | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2013-01-08 | — | — | US | claimed |
| US-20110293654-A1 | SUBSTITUTED CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS | 3M INNOVATIVE PROPERTIES COMANY | 2011-12-01 | — | — | US | claimed |