⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6541831 | 0.96 | — | — | |
| SCHEMBL23518 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL1118030 | 0.67 | — | — | |
| SCHEMBL2638374 | 0.67 | — | — | |
| SCHEMBL2039664 | 0.67 | — | — | |
| Water SCHEMBL11522203 | 0.67 | — | — | |
| SCHEMBL306321 | 0.67 | — | — | |
| SCHEMBL9184120 | 0.67 | — | — | |
| SCHEMBL1767599 | 0.67 | — | — | |
| SCHEMBL38272 | 0.64 | — | — |
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-6307018-B1 | TWO OLIGOPEPTIDES ARE LIGATED TO FORM A LIGATION PRODUCT HAVING AN AMINOTHIOESTER LINKAGE; IN A SECOND STEP, THE AMINOTHIOESTER LINKAGE REARRANGES TO FORM A PRODUCT HAVING AN N-SUBSTITUTED AMIDE LINKAGE | THE SCRIPPS RESEARCH INSTITUTE | 2001-10-23 | — | — | US | disclosed |
| WO-1998028434-A1 | GENERAL CHEMICAL LIGATION | THE SCRIPPS RESEARCH INSTITUTE (US) | 1998-07-02 | — | — | WO | disclosed |