⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5023615 | 1.00 | — | — | |
| SCHEMBL5023637 | 0.76 | LAP3 (0.30) | — | |
| SCHEMBL2059912 | 0.74 | — | — | |
| SCHEMBL15513862 | 0.73 | CYP1A2 (0.32) | — | |
| SCHEMBL4444886 | 0.72 | KYNU (0.30) | — | |
| Histidine SCHEMBL17316320 | 0.71 | SLC7A5 (0.44) | — | |
| Phthalic Acid SCHEMBL28090264 | 0.71 | SLC7A5 (0.45) | — | |
| SCHEMBL3263187 | 0.70 | — | — | |
| Histidine SCHEMBL503659 | 0.70 | SLC7A5 (0.43) | — | |
| Histidine SCHEMBL15670767 | 0.70 | SLC7A5 (0.43) | — |
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-20050186606-A1 | Methods and compositions for detecting nucleic acids | APPLIED BIOSYSTEMS, LLC | 2005-08-25 | — | — | US | disclosed |
| WO-2005077125-A2 | METHODS AND COMPOSITIONS FOR DETECTING NUCLEIC ACIDS | APPLERA CORPORATION (US) | 2005-08-25 | — | — | WO | disclosed |