⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8423005 | 0.79 | — | — | |
| SCHEMBL21162293 | 0.79 | — | — | |
| SCHEMBL10167764 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL4275201 | 0.75 | — | — | |
| SCHEMBL20022627 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL13769915 | 0.74 | — | — | |
| SCHEMBL6830496 | 0.70 | — | — | |
| SCHEMBL8589146 | 0.70 | — | — | |
| SCHEMBL24831222 | 0.70 | — | — | |
| SCHEMBL6682210 | 0.70 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050101676-A1 | Amino thiol compounds and compositions for use in conjunction with cancer therapy | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2005-05-12 | — | — | US | claimed |
| WO-2005014524-A2 | AMINO THIOL COMPOUNDS AND COMPOSITIONS FOR USE IN CONJUNCTION WITH CANCER THERAPY | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2005-02-17 | — | — | WO | claimed |
| WO-2021213492-A1 | DRUG-CARRYING MACROMOLECULE AND PREPARATION METHOD THEREFOR | 上海森辉医药有限公司 (CN) | 2021-10-28 | — | — | WO | disclosed |
| US-7314959-B2 | Amino thiol compounds and compositions for use in conjunction with cancer therapy | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2008-01-01 | — | — | US | disclosed |
| US-7314959-B2 | Amino thiol compounds and compositions for use in conjunction with cancer therapy | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2008-01-01 | — | — | US | disclosed |
| US-20050101676-A1 | Amino thiol compounds and compositions for use in conjunction with cancer therapy | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2005-05-12 | — | — | US | disclosed |
| WO-2005014524-A2 | AMINO THIOL COMPOUNDS AND COMPOSITIONS FOR USE IN CONJUNCTION WITH CANCER THERAPY | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2005-02-17 | — | — | WO | disclosed |