⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21404222 | 1.00 | — | — | |
| SCHEMBL3370003 | 0.82 | — | — | |
| SCHEMBL2154299 | 0.82 | — | — | |
| SCHEMBL12317549 | 0.82 | — | — | |
| SCHEMBL5500627 | 0.73 | — | — | |
| SCHEMBL5496462 | 0.73 | — | — | |
| SCHEMBL14181274 | 0.72 | ADH1B (0.30) | — | |
| SCHEMBL713747 | 0.69 | — | — | |
| SCHEMBL21708257 | 0.69 | — | — | |
| SCHEMBL8008332 | 0.69 | — | — |
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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4663488-A | Oppenauer oxidation of geraniol/nerol | UNION CAMP CORPORATION (US) | 1987-05-05 | — | — | US | claimed |
| US-4190607-A | Method for the preparation of 2,3-dimethyl-pent-4en-aldehyde | CARTER-WALLACE, INC. (US) | 1980-02-26 | — | — | US | claimed |
| WO-2024029475-A1 | WAVELENGTH CONVERSION FILM FORMING COMPOSITION | 日産化学株式会社 | 2024-02-08 | — | — | WO | disclosed |
| US-11834421-B2 | Saturated-ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof | JAPAN TOBACCO INC. (JP) | 2023-12-05 | — | — | US | disclosed |
| EP-3760619-B1 | SATURATED RING-CONDENSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUND, AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC (JP) | 2023-10-25 | — | — | EP | disclosed |
| US-20220119355-A1 | SATURATED-RING-FUSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUNDS AND PHARMACEUTICAL USE THEREOF | SHIONOGI & CO., LTD. (JP) | 2022-04-21 | — | — | US | disclosed |
| EP-3760619-A1 | SATURATED RING-CONDENSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUND, AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 2021-01-06 | — | — | EP | disclosed |
| CN-111741948-A | Saturated ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof | 日本烟草产业株式会社 | 2020-10-02 | — | — | CN | disclosed |
| US-20190300490-A1 | SATURATED-RING-FUSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUNDS AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2019-10-03 | — | — | US | disclosed |
| US-10326138-B2 | Charge storage material, electrode active material and secondary battery | WASEDA UNIVERSITY (JP) | 2019-06-18 | — | — | US | disclosed |
| US-10164258-B2 | Fused-ring quinone-substituted polynorbornene, electrode active material and secondary battery | WASEDA UNIVERSITY (JP) | 2018-12-25 | — | — | US | disclosed |
| CN-1370229-A | Nucleic acid fragment and vector contg. halogenase and method for halogenation of chemical compounds | BASF AG (DE) | 2002-09-18 | — | — | CN | disclosed |
| EP-1185629-A1 | NUCLEIC ACID FRAGMENT AND VECTOR CONTAINING HALOGENASE AND METHOD FOR THE HALOGENATION OF CHEMICAL COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-13 | — | — | EP | disclosed |
| CN-1331743-A | Method for producing chiral carboxylic acids from nitriles by using nitrilase or nitrilase-containing microorganisms | BASF AG (DE) | 2002-01-16 | — | — | CN | disclosed |
| EP-1123386-A1 | METHOD FOR PRODUCING CHIRAL CARBOXYLIC ACIDS FROM NITRILES WITH THE ASSISTANCE OF A NITRILASE OR MICROORGANISMS WHICH CONTAIN A GENE FOR THE NITRILASE | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-16 | — | — | EP | disclosed |
| WO-2000077182-A1 | NUCLEIC ACID FRAGMENT AND VECTOR CONTAINING HALOGENASE AND METHOD FOR THE HALOGENATION OF CHEMICAL COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2000-12-21 | — | — | WO | disclosed |
| WO-2000028330-A1 | METHOD FOR SELECTING CATALYTIC ANTIBODIES | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-18 | — | — | WO | disclosed |
| WO-2000023577-A1 | METHOD FOR PRODUCING CHIRAL CARBOXYLIC ACIDS FROM NITRILES WITH THE ASSISTANCE OF A NITRILASE OR MICROORGANISMS WHICH CONTAIN A GENE FOR THE NITRILASE | BASF AKTIENGESELLSCHAFT (DE) | 2000-04-27 | — | — | WO | disclosed |
| US-4190607-A | Method for the preparation of 2,3-dimethyl-pent-4en-aldehyde | CARTER-WALLACE, INC. (US) | 1980-02-26 | — | — | US | disclosed |
| US-4190607-A | Method for the preparation of 2,3-dimethyl-pent-4en-aldehyde | CARTER-WALLACE, INC. (US) | 1980-02-26 | — | — | US | disclosed |