⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3685669 | 0.83 | KDM4E (0.42) | — | |
| SCHEMBL11613410 | 0.74 | SLC6A12 (0.42) | — | |
| SCHEMBL31110008 | 0.72 | KDM4E (0.32) | — | |
| SCHEMBL5833567 | 0.72 | KDM4E (0.32) | — | |
| SCHEMBL7718211 | 0.72 | KDM4E (0.32) | — | |
| SCHEMBL11339554 | 0.72 | KDM4E (0.32) | — | |
| SCHEMBL20216336 | 0.72 | KDM4E (0.39) | — | |
| SCHEMBL31147109 | 0.72 | GABRR1 (0.32) | — | |
| SCHEMBL20216346 | 0.69 | KDM4E (0.37) | — | |
| SCHEMBL10979660 | 0.69 | KDM4E (0.30) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5886234-A | USING A SOLID ACID CATALYST TO REACT AN UNSATUREATIED ALDEHYDE E.G. CROTONALDEHYDE, AND A CYCLIC CONJUGATED DIENE, E.G CYCLOPENTADIENE, CYCLOHEXA-1,3-DIENE, IN AN EFFICIENT DIELS-ALDER REACTION | IDEMITSU KOSAN CO., LTD. (JP) | 1999-03-23 | — | — | US | claimed |
| EP-0860421-A1 | PROCESS FOR PRODUCING CYCLIC UNSATURATED ALDEHYDES | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1998-08-26 | — | — | EP | claimed |
| JP-9002989-A | — | — | None | — | — | JP | disclosed |
| US-12042788-B2 | Strongly Lewis acidic metal-organic frameworks for continuous flow catalysis | THE UNIVERSITY OF CHICAGO (US) | 2024-07-23 | — | — | US | disclosed |
| US-20210053042-A1 | STRONGLY LEWIS ACIDIC METAL-ORGANIC FRAMEWORKS FOR CONTINUOUS FLOW CATALYSIS | NATIONAL SCIENCE FOUNDATION | 2021-02-25 | — | — | US | disclosed |
| EP-3240543-A1 | BTK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-11-08 | — | — | EP | disclosed |
| WO-2016109216-A1 | BTK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-07-07 | — | — | WO | disclosed |
| EP-2958897-A2 | COMPOUNDS USEFUL AS MODULATORS OF TRPM8 | Senomyx, Inc. (US) | 2015-12-30 | — | — | EP | disclosed |
| WO-2014130582-A2 | COMPOUNDS USEFUL AS MODULATORS OF TRPM8 | SENOMYX, INC. (US) | 2014-08-28 | — | — | WO | disclosed |
| US-5886234-A | USING A SOLID ACID CATALYST TO REACT AN UNSATUREATIED ALDEHYDE E.G. CROTONALDEHYDE, AND A CYCLIC CONJUGATED DIENE, E.G CYCLOPENTADIENE, CYCLOHEXA-1,3-DIENE, IN AN EFFICIENT DIELS-ALDER REACTION | IDEMITSU KOSAN CO., LTD. (JP) | 1999-03-23 | — | — | US | disclosed |
| EP-0860421-A1 | PROCESS FOR PRODUCING CYCLIC UNSATURATED ALDEHYDES | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1998-08-26 | — | — | EP | disclosed |
| US-5780642-A | NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION | KNOLL AKTIENGESELLSCHAFT (DE) | 1998-07-14 | — | — | US | disclosed |
| JP-H092989-A | PRODUCTION OF CYCLIC UNSATURATED ALDEHYDE | IDEMITSU KOSAN CO LTD | 1997-01-07 | — | — | JP | disclosed |