⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2058364 | 1.00 | — | — | |
| SCHEMBL3695254 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL36621 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL8258470 | 0.75 | — | — | |
| SCHEMBL23501997 | 0.73 | — | — | |
| SCHEMBL9679825 | 0.73 | — | — | |
| SCHEMBL9679823 | 0.73 | — | — | |
| SCHEMBL9588262 | 0.73 | — | — | |
| SCHEMBL9219002 | 0.73 | — | — | |
| SCHEMBL10405205 | 0.73 | — | — |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0806405-A1 | Process for the preparation of hexahydrofarnesylacetone from 6,7-dihydrogeraniol and intermediates for their production | BASF AKTIENGESELLSCHAFT (DE) | 1997-11-12 | — | — | EP | claimed |
| US-20180111889-A1 | METHODS OF MAKING MULTICYCLIC COMPOUNDS USING MULTICOMPONENT/TANDEM REACTION SEQUENCES | BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, (US) | 2018-04-26 | — | — | US | disclosed |
| US-9944658-B2 | Beta-lactamase inhibitors | VenatoRx Pharmaceuticals, Inc. (US) | 2018-04-17 | — | — | US | disclosed |
| US-20180065966-A1 | Antimicrobial Compounds And Methods Of Making And Using The Same | MELINTA THERAPEUTICS, INC. | 2018-03-08 | — | — | US | disclosed |
| US-9409879-B2 | Total synthesis of redox-active 1.4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistomicidal agents | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2016-08-09 | — | — | US | disclosed |
| US-9327281-B2 | Carbon-dioxide compound and catalyst | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2016-05-03 | — | — | US | disclosed |
| US-20160024121-A1 | BETA-LACTAMASE INHIBITORS | VenatoRx Pharmaceuticals, Inc. | 2016-01-28 | — | — | US | disclosed |
| US-20150306590-A1 | CARBON-DIOXIDE COMPOUND AND CATALYST | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2015-10-29 | — | — | US | disclosed |
| US-20140121238-A1 | TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2014-05-01 | — | — | US | disclosed |
| US-8440706-B2 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-14 | — | — | US | disclosed |
| US-7067703-B2 | Manufacture of retinoids | DSM IP ASSETS B.V. (NL) | 2006-06-27 | — | — | US | disclosed |
| US-20050014976-A1 | Manufacture of retinoids | DSM IP ASSETS B.V. (NL) | 2005-01-20 | — | — | US | disclosed |
| EP-1442014-A1 | MANUFACTURE OF RETINOIDS | DSM IP Assets B.V. (NL) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003037856-A1 | MANUFACTURE OF RETINOIDS | DSM IP ASSETS B.V. (NL) | 2003-05-08 | — | — | WO | disclosed |
| US-5767325-A | Preparation of enol ethers | BASF AKTIENGESELLSCHAFT (DE) | 1998-06-16 | — | — | US | disclosed |
| EP-0806405-A1 | Process for the preparation of hexahydrofarnesylacetone from 6,7-dihydrogeraniol and intermediates for their production | BASF AKTIENGESELLSCHAFT (DE) | 1997-11-12 | — | — | EP | disclosed |
| EP-0776879-A1 | Process for the preparation of enol ethers | BASF AKTIENGESELLSCHAFT (DE) | 1997-06-04 | — | — | EP | disclosed |
| US-4225514-A | FROM A SUBSTITUTED PYRAN | HOFFMANN-LA ROCHE INC. (US) | 1980-09-30 | — | — | US | disclosed |
| US-4071538-A | Pyran aldehydes | HOFFMANN-LA ROCHE INC. (US) | 1978-01-31 | — | — | US | disclosed |
| US-3997529-A | 2-(CYCLOHEXENYLALKENYL)-6-ALKOXY-3,6-DIHYDO-2H-PYRANS | HOFFMANN-LA ROCHE INC. (US) | 1976-12-14 | — | — | US | disclosed |