⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10096930 | 0.69 | — | — | |
| SCHEMBL11207260 | 0.69 | — | — | |
| SCHEMBL11209221 | 0.69 | — | — | |
| SCHEMBL11216900 | 0.69 | — | — | |
| SCHEMBL7615076 | 0.69 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL11429716 | 0.66 | — | — | |
| SCHEMBL11444435 | 0.63 | — | — | |
| SCHEMBL21612910 | 0.62 | — | — | |
| SCHEMBL8022606 | 0.62 | LIPA (0.36) | — | |
| SCHEMBL26232033 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0013048-B1 | 8-SUBSTITUTED BICYCLO(3.2.1)OCTANES AND PROCESSES FOR THE PREPARATION THEREOF | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-08-24 | — | — | EP | claimed |
| US-4239707-A | USEFUL AS HEAT STABLE LIGANDS FOR CATALYTIC SYSTEMS AND AS CHEMICAL INTERMEDIATES PREPARED FROM 1,5-DIMETHYL-1,5-CYCLOOCTADIENE | SHELL OIL COMPANY (US) | 1980-12-16 | — | — | US | claimed |
| EP-0013048-A2 | 8-Substituted bicyclo(3.2.1)octanes and processes for the preparation thereof | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1980-07-09 | — | — | EP | claimed |
| EP-0013048-B1 | 8-SUBSTITUTED BICYCLO(3.2.1)OCTANES AND PROCESSES FOR THE PREPARATION THEREOF | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-08-24 | — | — | EP | disclosed |
| US-4239707-A | USEFUL AS HEAT STABLE LIGANDS FOR CATALYTIC SYSTEMS AND AS CHEMICAL INTERMEDIATES PREPARED FROM 1,5-DIMETHYL-1,5-CYCLOOCTADIENE | SHELL OIL COMPANY (US) | 1980-12-16 | — | — | US | disclosed |
| EP-0013048-A2 | 8-Substituted bicyclo(3.2.1)octanes and processes for the preparation thereof | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1980-07-09 | — | — | EP | disclosed |