⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18190347 | 0.75 | — | — | |
| SCHEMBL9766756 | 0.75 | GRIN2D (0.37) | — | |
| SCHEMBL8194395 | 0.63 | PTPN1 (0.33) | — | |
| SCHEMBL5358324 | 0.63 | DAO (0.38) | — | |
| SCHEMBL9766682 | 0.61 | HIF1A (0.38) | — | |
| SCHEMBL9766749 | 0.60 | HIF1A (0.44) | — | |
| SCHEMBL9766716 | 0.59 | HIF1A (0.46) | — | |
| SCHEMBL8194399 | 0.57 | HCAR2 (0.32) | — | |
| SCHEMBL16510896 | 0.52 | KDM4E (0.35) | — | |
| SCHEMBL9766805 | 0.52 | GRIA1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0515395-A1 | SAPPHYRINS, DERIVATIVES AND SYNTHESIS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1992-12-02 | — | — | EP | claimed |
| WO-1991009861-A1 | SAPPHYRINS, DERIVATIVES AND SYNTHESIS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1991-07-11 | — | — | WO | claimed |