⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4089010 | 0.91 | HRH3 (0.43) | — | |
| Hydrochloric Acid SCHEMBL27731919 | 0.89 | HRH3 (0.42) | — | |
| SCHEMBL12333839 | 0.82 | HRH3 (0.43) | — | |
| Hydrochloric Acid SCHEMBL2886996 | 0.81 | SIGMAR1 (0.44) | — | |
| SCHEMBL9449653 | 0.79 | SIGMAR1 (0.62) | — | |
| SCHEMBL10921394 | 0.79 | SIGMAR1 (0.47) | — | |
| SCHEMBL16322104 | 0.79 | SIGMAR1 (0.62) | — | |
| SCHEMBL5837843 | 0.79 | HRH3 (0.55) | — | |
| Hydrochloric Acid SCHEMBL7407375 | 0.78 | MEN1 (0.47) | — | |
| SCHEMBL10582736 | 0.78 | SIGMAR1 (0.60) | — |
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-RE43676-E1 | Alkyl ether derivatives or salts thereof | TOYAMA CHEMICAL CO., LTD. (JP) | 2012-09-18 | — | — | US | disclosed |
| US-8129535-B2 | Alkyl ether derivatives or salts thereof | TOYAMA CHEMICAL CO., LTD. (JP) | 2012-03-06 | — | — | US | disclosed |
| US-20090111992-A1 | ALKYL ETHER DERIVATIVES OR SALTS THEREOF | TOYAMA CHEMICAL CO., LTD. (JP) | 2009-04-30 | — | — | US | disclosed |
| US-7468443-B2 | Alkyl ether derivatives or salts thereof | TOYAMA CHEMICAL CO., LTD. (JP) | 2008-12-23 | — | — | US | disclosed |