⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6936947 | 0.87 | — | — | |
| SCHEMBL9118643 | 0.75 | — | — | |
| Ether SCHEMBL27469095 | 0.73 | MAPK1 (0.33) | — | |
| SCHEMBL10423749 | 0.72 | — | — | |
| SCHEMBL28197837 | 0.72 | TSHR (0.38) | — | |
| Ether SCHEMBL8728166 | 0.71 | MAPK1 (0.38) | — | |
| Ether SCHEMBL1582236 | 0.70 | TSHR (0.31) | — | |
| Ether SCHEMBL28734827 | 0.70 | ALDH1A1 (0.33) | — | |
| Ether SCHEMBL2837591 | 0.69 | ALDH1A1 (0.37) | — | |
| Ether SCHEMBL9750502 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9997272-B2 | Modular supramolecular approach for co-crystallization of donors and acceptors into ordered networks | NORTHWESTERN UNIVERSITY (US) | 2018-06-12 | — | — | US | disclosed |
| US-20170053721-A1 | Modular Supramolecular Approach for Co-Crystallization of Donors and Acceptors into Ordered Networks | UNITED STATES DEPARTMENT OF ENERGY | 2017-02-23 | — | — | US | disclosed |
| US-9449731-B2 | Modular supramolecular approach for co-crystallization of donors and acceptors into ordered networks | NORTHWESTERN UNIVERSITY (US) | 2016-09-20 | — | — | US | disclosed |
| US-20130069010-A1 | MODULAR SUPRAMOLECULAR APPROACH FOR CO-CRYSTALLIZATION OF DONORS AND ACCEPTORS INTO ORDERED NETWORKS | NORTHWESTERN UNIVERSITY (US) | 2013-03-21 | — | — | US | disclosed |