⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL663444 | 0.75 | — | — | |
| SCHEMBL12758726 | 0.75 | — | — | |
| SCHEMBL20115943 | 0.72 | — | — | |
| SCHEMBL2879771 | 0.72 | — | — | |
| SCHEMBL1982617 | 0.70 | TSHR (0.36) | — | |
| SCHEMBL18531908 | 0.69 | — | — | |
| SCHEMBL19908775 | 0.69 | — | — | |
| SCHEMBL25364043 | 0.64 | — | — | |
| SCHEMBL17958377 | 0.64 | — | — | |
| SCHEMBL8764179 | 0.64 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230295695-A1 | DNA-DYE ASSEMBLY BASED SINGLE-MOLECULE FLUORESCENCE LIFETIME IMAGING PROBES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2023-09-21 | — | — | US | disclosed |
| US-20230227393-A1 | IRON CATALYZED HIGHLY ENANTIOSELECTIVE CIS-DIHYDROXYLATION OF QUINONES | THE UNIVERSITY OF HONG KONG (CN) | 2023-07-20 | — | — | US | disclosed |
| US-4595753-A | Nitrogen heterocycle substituted | EXXON RESEARCH AND ENGINEERING CO. (US) | 1986-06-17 | — | — | US | disclosed |
| EP-0000162-B1 | Method for preparing aralkyl and alkyl phenol ethers | BASF Aktiengesellschaft (DE) | 1980-08-20 | — | — | EP | disclosed |
| US-4192949-A | FROM CORRESPONDING PHENOLS BY ETHERIFICATION WITH DIALKYL CARBONATE IN TERTIARY AMINE OR PHOSPHINE | BASF AKTIENGESELLSCHAFT (DE) | 1980-03-11 | — | — | US | disclosed |
| EP-0000162-A1 | Method for preparing aralkyl and alkyl phenol ethers | BASF Aktiengesellschaft (DE) | 1979-01-10 | — | — | EP | disclosed |