⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7353958 | 1.00 | — | — | |
| SCHEMBL18983005 | 1.00 | — | — | |
| SCHEMBL22021908 | 0.87 | MEN1 (0.34) | — | |
| Ether SCHEMBL10947766 | 0.82 | MEN1 (0.33) | — | |
| SCHEMBL26490950 | 0.82 | — | — | |
| SCHEMBL31257770 | 0.72 | FUCA1 (0.33) | — | |
| SCHEMBL31257596 | 0.72 | FUCA1 (0.33) | — | |
| SCHEMBL31257768 | 0.72 | FUCA1 (0.33) | — | |
| SCHEMBL31257641 | 0.72 | FUCA1 (0.33) | — | |
| SCHEMBL15103116 | 0.71 | TFPI2 (0.41) | — |
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-4487945-A | ACIDIFYING A CIS-EPOXYCYCLOHEXANOL | SHELL OIL COMPANY (US) | 1984-12-11 | — | — | US | claimed |
| EP-0081892-A2 | Process for the preparation of bicycloheptane derivatives, and novel bicycloheptane derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-06-22 | — | — | EP | claimed |
| US-20240317706-A1 | COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND METHODS OF USE THEREOF | MONTE ROSA THERAPEUTICS AG (CH) | 2024-09-26 | — | — | US | disclosed |
| US-20240287080-A1 | O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.4) LIMITED (GB) | 2024-08-29 | — | — | US | disclosed |
| US-4670041-A | PLANT GROWTH REGULATORS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1987-06-02 | — | — | US | disclosed |
| US-4606753-A | PLANT GROWTH REGULATORS | SHELL OIL COMPANY (US) | 1986-08-19 | — | — | US | disclosed |
| US-4567283-A | EPOXYCYCLOHEXANOLS | SHELL OIL COMPANY (US) | 1986-01-28 | — | — | US | disclosed |
| US-4554366-A | HERBICIDES, PLANT GROWTH REGULATORS | SHELL OIL COMPANY (US) | 1985-11-19 | — | — | US | disclosed |
| US-4542244-A | Oxabicycloalkane herbicides | SHELL OIL COMPANY (US) | 1985-09-17 | — | — | US | disclosed |
| US-4487945-A | ACIDIFYING A CIS-EPOXYCYCLOHEXANOL | SHELL OIL COMPANY (US) | 1984-12-11 | — | — | US | disclosed |
| US-4487945-A | ACIDIFYING A CIS-EPOXYCYCLOHEXANOL | SHELL OIL COMPANY (US) | 1984-12-11 | — | — | US | disclosed |
| US-4487945-A | ACIDIFYING A CIS-EPOXYCYCLOHEXANOL | SHELL OIL COMPANY (US) | 1984-12-11 | — | — | US | disclosed |
| EP-0081892-A2 | Process for the preparation of bicycloheptane derivatives, and novel bicycloheptane derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-06-22 | — | — | EP | disclosed |