⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11768629 | 1.00 | — | — | |
| SCHEMBL6903640 | 1.00 | — | — | |
| SCHEMBL7603726 | 0.88 | — | — | |
| SCHEMBL9126267 | 0.88 | — | — | |
| SCHEMBL9126263 | 0.88 | — | — | |
| SCHEMBL13267299 | 0.72 | — | — | |
| SCHEMBL16433203 | 0.72 | — | — | |
| SCHEMBL10882211 | 0.72 | — | — | |
| SCHEMBL11499954 | 0.69 | — | — | |
| SCHEMBL14169973 | 0.67 | CYP3A4 (0.36) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012087790-A1 | PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2012-06-28 | — | — | WO | disclosed |
| US-20040087000-A1 | Isopenicillin N synthetase and deacetoxycephalosporin C synthetase enzymes and method | ISIS INNOVATION LIMITED | 2004-05-06 | — | — | US | disclosed |
| US-20030088058-A1 | ISOPENICILLIN N SYNTHETASE AND DEACETOXYCEPHALOSPORIN C SYNTHETASE ENZYMES AND METHODS | ISIS INNOVATION LIMITED (GB) | 2003-05-08 | — | — | US | disclosed |
| EP-0932685-A2 | ISOPENICILLIN N SYNTHETASE AND DEACETOXYCEPHALOSPORIN C SYNTHETASE ENZYMES AND METHOD | ISIS INNOVATION LIMITED (GB) | 1999-08-04 | — | — | EP | disclosed |
| WO-1998016648-A2 | ISOPENICILLIN N SYNTHETASE AND DEACETOXYCEPHALOSPORIN C SYNTHETASE ENZYMES AND METHODS | ISIS INNOVATION LIMITED (GB) | 1998-04-23 | — | — | WO | disclosed |
| EP-0613480-A1 | PROCESS FOR THE PREPARATION OF CEPHEM DERIVATIVES | CHEIL FOODS & CHEMICALS, INC. (KR) | 1994-09-07 | — | — | EP | disclosed |
| WO-1993010123-A1 | PROCESS FOR THE PREPARATION OF CEPHEM DERIVATIVES | CHEIL FOODS & CHEMICALS, INC. (KR) | 1993-05-27 | — | — | WO | disclosed |
| EP-0187500-A1 | Monobactams | THE UPJOHN COMPANY (US) | 1986-07-16 | — | — | EP | disclosed |
| US-4525587-A | PERFORMING REACTION IN DIMETHYLACETAMIDE AND COUNTER ORGANIC SOLVENT | ELI LILLY AND COMPANY (US) | 1985-06-25 | — | — | US | disclosed |
| US-4113941-A | ANION EXCHANGE RESIN | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-12 | — | — | US | disclosed |
| US-4093800-A | Process for preparing cepham compounds | ELI LILLY AND COMPANY (US) | 1978-06-06 | — | — | US | disclosed |
| US-4024152-A | 4-Dithio-3-imido-azetidin-2-ones | ELI LILLY AND COMPANY (US) | 1977-05-17 | — | — | US | disclosed |