⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1037514 | 0.80 | — | — | |
| SCHEMBL1038248 | 0.75 | — | — | |
| SCHEMBL1037737 | 0.72 | — | — | |
| SCHEMBL1039860 | 0.72 | — | — | |
| SCHEMBL5316239 | 0.67 | — | — | |
| SCHEMBL15405111 | 0.67 | — | — | |
| 1,1,2,2-Tetrachloroethane SCHEMBL8872399 | 0.63 | TDP1 (1.00) | — | |
| 1,1,2,2-Tetrachloroethane SCHEMBL2564 | 0.63 | — | — | |
| SCHEMBL1315743 | 0.62 | — | — | |
| SCHEMBL8696403 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230338300-A1 | PHARMACEUTICAL COMPOSITION CONTAINING COCRYSTALS FOR ADDITIVE MANUFACTURING | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM | 2023-10-26 | — | — | US | disclosed |
| US-20230338315-A1 | METHOD OF PRODUCING PHARMACEUTICAL COCRYSTALS FOR ADDITIVE MANUFACTURING | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM | 2023-10-26 | — | — | US | disclosed |
| US-6190826-B1 | FOR TRANSFERRING MEDICAL DIAGNOSTIC CHEMISTRY TO A RECEPTOR. | 3M INNOVATIVE PROPERTIES COMPANY | 2001-02-20 | — | — | US | disclosed |