⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8746819 | 0.79 | — | — | |
| SCHEMBL88171 | 0.78 | — | — | |
| SCHEMBL4332474 | 0.77 | MEN1 (0.32) | — | |
| SCHEMBL10899385 | 0.75 | — | — | |
| SCHEMBL11835527 | 0.75 | — | — | |
| SCHEMBL9248210 | 0.75 | — | — | |
| SCHEMBL11667239 | 0.72 | — | — | |
| SCHEMBL9806606 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL9328264 | 0.69 | — | — | |
| SCHEMBL436926 | 0.69 | — | — |
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-20030211078-A1 | Therapy for restenosis; antiischemic agents; antitumor agents; anticancer agents; complexing | CENTOCOR, INC. | 2003-11-13 | — | — | US | disclosed |
| WO-2003049684-A2 | PSEUDO-ANTIBODY CONSTRUCTS | CENTOCOR, INC. (US) | 2003-06-19 | — | — | WO | disclosed |