⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10898526 | 0.82 | TSHR (0.31) | — | |
| SCHEMBL280595 | 0.79 | — | — | |
| SCHEMBL10899139 | 0.79 | TSHR (0.42) | — | |
| SCHEMBL21402024 | 0.77 | — | — | |
| SCHEMBL12181397 | 0.76 | ADH1B (0.43) | — | |
| SCHEMBL10582999 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL5049583 | 0.71 | — | — | |
| SCHEMBL17745024 | 0.70 | ALOX15 (0.44) | — | |
| SCHEMBL21010387 | 0.70 | — | — | |
| SCHEMBL10895531 | 0.70 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7605263-B2 | Fluorescent naphthalene-1,4,5,8-tetracarboxylic bisimides with an electron-donating substituent on the nucleus | INFINEON TECHNOLOGIES AG (DE) | 2009-10-20 | — | — | US | disclosed |
| US-20030153005-A1 | Fluorescent naphthalene -1,4,5,8-tetracarboxylic bisimides with an electron-donating substituent on the nucleus | POLARIS INNOVATIONS LIMITED (IE) | 2003-08-14 | — | — | US | disclosed |
| EP-0394968-A1 | Amination of carbonyls | UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) | 1990-10-31 | — | — | EP | disclosed |
| EP-0394967-A1 | Reductive amination of carbonylnitriles and similar compounds | UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) | 1990-10-31 | — | — | EP | disclosed |
| EP-0087712-B1 | METHOD FOR THE PREPARATION OF 3-CYANO-2-ALKYL ALKANALS AND USE OF 3-CYANO-2-ETHYL HEXANAL IN THE PREPARATION OF 2-PROPYLPENTANOIC ACID | BASF Aktiengesellschaft (DE) | 1986-05-07 | — | — | EP | disclosed |
| US-4532082-A | Preparation of 3-cyano-2-alkylalkanals | BASF AKTIENGESELLSCHAFT (DE) | 1985-07-30 | — | — | US | disclosed |
| EP-0087712-A1 | Method for the preparation of 3-cyano-2-alkyl alkanals and use of 3-cyano-2-ethyl hexanal in the preparation of 2-propylpentanoic acid | BASF Aktiengesellschaft (DE) | 1983-09-07 | — | — | EP | disclosed |