⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17716541 | 0.87 | — | — | |
| SCHEMBL17716537 | 0.81 | MCL1 (0.38) | — | |
| SCHEMBL17716540 | 0.81 | ERAP1 (0.37) | — | |
| SCHEMBL17717344 | 0.79 | ATM (0.40) | — | |
| SCHEMBL17716534 | 0.75 | ERAP1 (0.37) | — | |
| SCHEMBL17716531 | 0.72 | ERAP1 (0.38) | — | |
| SCHEMBL17716538 | 0.70 | MCL1 (0.39) | — | |
| SCHEMBL17716539 | 0.68 | ERAP1 (0.38) | — | |
| SCHEMBL17716550 | 0.67 | ERAP1 (0.41) | — | |
| SCHEMBL17717163 | 0.67 | ATM (0.41) | — |
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-20200188535-A1 | Bioorthogonal Turn-on Probes | THE GENERAL HOSPITAL CORPORATION | 2020-06-18 | — | — | US | disclosed |
| US-20160121002-A1 | Bioorthogonal Turn-on Probes | THE GENERAL HOSPITAL CORPORATION (US) | 2016-05-05 | — | — | US | disclosed |
| US-20160121002-A1 | Bioorthogonal Turn-on Probes | THE GENERAL HOSPITAL CORPORATION (US) | 2016-05-05 | — | — | US | disclosed |