⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5031109 | 0.77 | LMNA (0.33) | — | |
| SCHEMBL6524182 | 0.76 | — | — | |
| SCHEMBL28686320 | 0.72 | PLA2G7 (0.33) | — | |
| SCHEMBL456665 | 0.72 | — | — | |
| SCHEMBL21663286 | 0.71 | ELANE (0.36) | — | |
| SCHEMBL28166208 | 0.69 | — | — | |
| SCHEMBL592826 | 0.69 | — | — | |
| SCHEMBL28166209 | 0.67 | — | — | |
| SCHEMBL14123288 | 0.67 | CHRM3 (0.49) | — | |
| SCHEMBL6515445 | 0.66 | ALDH1A1 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103102261-A | Synthesis method of spiro[2.5]octane-5-carboxylic acid | WUXI APPTEC CO LTD | 2013-05-15 | — | — | CN | disclosed |
| US-20050065349-A1 | Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems | BUCHWALD STEPHEN L (US) | 2005-03-24 | — | — | US | disclosed |
| US-6787655-B2 | TRANSITION-METAL-CATALYZED ASYMMETRIC 1,4-ADDITION OF A NUCLEOPHILE, E.G., HYDRIDE, TO CYCLIC AND ACYCLIC ENOATES AND ENONES AND THE CATALYST CONTAINING A COPPER AND AN ASYMMETRIC BIDENTATE BISPHOSPHINE LIGAND | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2004-09-07 | — | — | US | disclosed |
| US-20030125563-A1 | Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-07-03 | — | — | US | disclosed |
| US-6465664-B1 | CATALYZED WITH A TRANSITION METAL CATALYST COMPOSED OF A COPPER COMPOUND AND AN ASYMMETRIC LIGAND, SUCH AS A PHOSPHINE, A NUCLEOPHILE AND A BASE | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2002-10-15 | — | — | US | disclosed |
| EP-1169041-A2 | USE OF CARBAMIC ACID DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | THE PROCTER & GAMBLE COMPANY (US) | 2002-01-09 | — | — | EP | disclosed |
| US-6225307-B1 | CAPROLACTAM-PHENYL PHENYLCARBAMATE | THE PROCTER & GAMBLE COMPANY | 2001-05-01 | — | — | US | disclosed |
| WO-2001019761-A2 | ASYMMETRIC 1,4-REDUCTIONS OF AND 1,4-ADDITIONS TO ENOATES AND RELATED SYSTEMS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2001-03-22 | — | — | WO | disclosed |
| WO-2000057868-A2 | USE OF CARBAMAMIC ACID DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | THE PROCTER & GAMBLE COMPANY (US) | 2000-10-05 | — | — | WO | disclosed |