⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11667330 | 0.76 | SLC6A4 (0.34) | — | |
| SCHEMBL88812 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL8755232 | 0.76 | — | — | |
| SCHEMBL8584070 | 0.76 | SLC6A4 (0.34) | — | |
| SCHEMBL170697 | 0.75 | — | — | |
| SCHEMBL6533341 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL6167155 | 0.74 | ALDH1A1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL10817675 | 0.73 | — | — | |
| SCHEMBL7365550 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL28710001 | 0.70 | SLC6A4 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0302694-A2 | Substituted aryloxyamino-propanols and methods of preparing same | SLOVENSKA AKADEMIA VIED (SK) | 1989-02-08 | — | — | EP | claimed |
| US-20050115007-A1 | Anti-microbial fabric treatment | DEUTSCHE BANK AG NEW YORK BRANCH, AS AGENT | 2005-06-02 | — | — | US | disclosed |
| EP-1478800-A1 | ANTI-MICROBIAL FABRIC TREATMENT | HUNTSMAN INTERNATIONAL LLC (US) | 2004-11-24 | — | — | EP | disclosed |
| WO-2003066957-A1 | ANTI-MICROBIAL FABRIC TREATMENT | HUNTSMAN INTERNATIONAL LLC (US) | 2003-08-14 | — | — | WO | disclosed |