⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21886509 | 0.70 | — | — | |
| SCHEMBL118308 | 0.67 | — | — | |
| SCHEMBL20893651 | 0.67 | — | — | |
| SCHEMBL228466 | 0.67 | — | — | |
| SCHEMBL2221620 | 0.67 | — | — | |
| SCHEMBL94307 | 0.67 | — | — | |
| SCHEMBL1170571 | 0.67 | — | — | |
| SCHEMBL2666224 | 0.64 | — | — | |
| SCHEMBL23248532 | 0.64 | — | — | |
| Water SCHEMBL21817649 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0181721-B1 | ESTERS OF BORON ANALOGUES OF AMINO ACIDS | DUKE UNIVERSITY (US) | 1989-08-02 | — | — | EP | claimed |
| EP-0181721-A1 | Esters of boron analogues of amino acids | DUKE UNIVERSITY (US) | 1986-05-21 | — | — | EP | claimed |
| US-20230167229-A1 | BLOCKED ISOCYANATE COMPOSITION, HEAT-CURABLE RESIN COMPOSITION, CURED PRODUCT, PRODUCTION METHOD THEREFOR, AMIDATE COMPOUND, AND CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES | KOEI CHEMICAL COMPANY, LIMITED (JP) | 2023-06-01 | — | — | US | disclosed |
| EP-2768878-B1 | STABLE, READY-TO-USE LIQUID POLYURETHANE RESIN COMPOSITION AND USES THEREOF | SOPREMA (FR) | 2017-09-13 | — | — | EP | disclosed |
| EP-1218385-B1 | CARBON MONOXIDE SOURCE FOR PREPARATION OF TRANSITION-METAL-CARBONYL-COMPLEXES | MALLINCKRODT INC (US) | 2009-01-07 | — | — | EP | disclosed |
| US-7053242-B1 | Carbon monoxide source for preparation of transition-metal-carbonyl-complexes | MALLINCKRODT INC. (US) | 2006-05-30 | — | — | US | disclosed |
| CN-1187359-C | Carbon monoxide source for preparing transition metal carbonyl complexes | MALLINCKRODT INC (US) | 2005-02-02 | — | — | CN | disclosed |
| CN-1377360-A | Carbon monoxide source for preparing transition metal carbonyl complexes | MALLINCKRODT INC (US) | 2002-10-30 | — | — | CN | disclosed |
| EP-1218385-A1 | CARBON MONOXIDE SOURCE FOR PREPARATION OF TRANSITION-METAL-CARBONYL-COMPLEXES | Mallinckrodt Inc. (US) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001025243-A1 | CARBON MONOXIDE SOURCE FOR PREPARATION OF TRANSITION-METAL-CARBONYL-COMPLEXES | MALLINCKRODT INC. (US) | 2001-04-12 | — | — | WO | disclosed |