⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20682524 | 0.92 | SIGMAR1 (0.95) | — | |
| SCHEMBL2388666 | 0.89 | — | — | |
| 5,6,7,8-Tetrahydroisoquinoline SCHEMBL28211 | 0.89 | SIGMAR1 (1.00) | — | |
| SCHEMBL29518090 | 0.89 | — | — | |
| SCHEMBL4077470 | 0.87 | SIGMAR1 (0.95) | — | |
| SCHEMBL19840372 | 0.87 | SIGMAR1 (0.95) | — | |
| SCHEMBL12524319 | 0.87 | SIGMAR1 (0.95) | — | |
| SCHEMBL13763083 | 0.85 | — | — | |
| SCHEMBL19200207 | 0.83 | CHRNB2 (1.00) | — | |
| SCHEMBL20159085 | 0.81 | SIGMAR1 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230174514-A1 | AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS | IDORSIA PHARMACEUTICALS LTD (CH) | 2023-06-08 | — | — | US | disclosed |
| US-20230174514-A1 | AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS | IDORSIA PHARMACEUTICALS LTD (CH) | 2023-06-08 | — | — | US | disclosed |
| WO-2021219849-A1 | AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS | IDORSIA PHARMACEUTICALS LTD (CH) | 2021-11-04 | — | — | WO | disclosed |
| US-20180212180-A1 | POLYMERIC CHARGE TRANSFER LAYER AND ORGANIC ELECTRONIC DEVICE CONTAINING SAME | DOW GLOBAL TECHNOLOGIES LLC (US) | 2018-07-26 | — | — | US | disclosed |
| US-20180212180-A1 | POLYMERIC CHARGE TRANSFER LAYER AND ORGANIC ELECTRONIC DEVICE CONTAINING SAME | DOW GLOBAL TECHNOLOGIES LLC (US) | 2018-07-26 | — | — | US | disclosed |
| WO-2017031622-A1 | POLYMERIC CHARGE TRANSFER LAYER AND ORGANIC ELECTRONIC DEVICE CONTAINING SAME | DOW GLOBAL TECHNOLOGIES LLC (US) | 2017-03-02 | — | — | WO | disclosed |
| WO-2004052847-A2 | TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2004-06-24 | — | — | WO | disclosed |