⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28034763 | 0.85 | CA12 (0.50) | — | |
| SCHEMBL6353030 | 0.79 | — | — | |
| SCHEMBL1778839 | 0.74 | — | — | |
| SCHEMBL27792281 | 0.72 | — | — | |
| SCHEMBL14008328 | 0.72 | — | — | |
| SCHEMBL2917699 | 0.67 | — | — | |
| SCHEMBL2230309 | 0.67 | — | — | |
| SCHEMBL1092096 | 0.65 | — | — | |
| SCHEMBL27854452 | 0.65 | — | — | |
| Bromide SCHEMBL28090752 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080286360-A1 | Chemically patterned hydrogels, manufacture and use thereof | SHOICHET MOLLY | 2008-11-20 | — | — | US | disclosed |
| US-5992354-A | Combustion of nanopartitioned fuel | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1999-11-30 | — | — | US | disclosed |
| US-4966970-A | Process for manufacturing pyrazines | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1990-10-30 | — | — | US | disclosed |