⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16574584 | 0.82 | KIF11 (0.40) | — | |
| Hydrochloric Acid SCHEMBL2891848 | 0.81 | KIF11 (0.40) | — | |
| Hydrochloric Acid SCHEMBL2891851 | 0.81 | KIF11 (0.40) | — | |
| SCHEMBL19924408 | 0.81 | METAP2 (0.41) | — | |
| SCHEMBL10813943 | 0.81 | KIF11 (0.37) | — | |
| SCHEMBL24540526 | 0.81 | NOS1 (0.36) | — | |
| SCHEMBL8412082 | 0.81 | METAP2 (0.30) | — | |
| SCHEMBL15760500 | 0.77 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL15844715 | 0.76 | — | — | |
| SCHEMBL12438549 | 0.76 | KIF11 (0.46) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9631041-B2 | PH-sensitive compositions for delivery of beta lapachone and methods of use | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2017-04-25 | — | — | US | disclosed |