⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4268121 | 0.76 | — | — | |
| SCHEMBL5822320 | 0.76 | TSHR (0.30) | — | |
| SCHEMBL9474546 | 0.76 | TSHR (0.30) | — | |
| SCHEMBL27497003 | 0.75 | — | — | |
| SCHEMBL9389811 | 0.75 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL9241488 | 0.74 | — | — | |
| SCHEMBL1137566 | 0.74 | — | — | |
| SCHEMBL371245 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28050744 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL7259810 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7943606-B2 | Compositions and methods to control abnormal cell growth | CANCURE LABORATORIES, LLC (US) | 2011-05-17 | — | — | US | claimed |
| US-20100048668-A1 | COMPOSITIONS AND METHODS TO CONTROL ABNORMAL CELL GROWTH | CANCURE LABORATORIES, LLC (US) | 2010-02-25 | — | — | US | claimed |
| US-9421493-B2 | Method for eliminating acid compounds from a gaseous effluent with an absorbent solution made from bis(amino-3-propyl)ethers | IFP Energies Nouvelles (FR) | 2016-08-23 | — | — | US | disclosed |
| US-20140311342-A1 | METHOD FOR ELIMINATING ACID COMPOUNDS FROM A GASEOUS EFFLUENT WITH AN ABSORBENT SOLUTION MADE FROM BIS(AMINO-3-PROPYL)ETHERS | IFP Energies Nouvelles (FR) | 2014-10-23 | — | — | US | disclosed |
| US-3994890-A | TRANQUILIZERS, ANTIDEPRESSANTS, ANTIINFLAMMATORY | CHUGAI SEIYAKU KABUSHIKI KAISHA (JA) | 1976-11-30 | — | — | US | disclosed |