⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7268045 | 0.77 | — | — | |
| SCHEMBL473159 | 0.76 | MAOA (0.32) | — | |
| SCHEMBL10423763 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL1998705 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL6033614 | 0.75 | PTPN1 (0.43) | — | |
| SCHEMBL1496175 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL1459237 | 0.72 | — | — | |
| SCHEMBL460725 | 0.72 | KDM4E (0.38) | — | |
| SCHEMBL4797006 | 0.69 | PABPC1 (0.33) | — | |
| SCHEMBL5576021 | 0.69 | KDM4E (0.33) | — |
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-8438909-B2 | Device and method for detecting an air leak in a tool | THE BOEING COMPANY (US) | 2013-05-14 | — | — | US | disclosed |
| US-20100170326-A1 | LEAK DETECTION IN COMPOSITE TOOLS | THE BOEING COMPANY (US) | 2010-07-08 | — | — | US | disclosed |