⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16847590 | 1.00 | — | — | |
| SCHEMBL18176561 | 1.00 | — | — | |
| SCHEMBL21977948 | 0.73 | — | — | |
| SCHEMBL131698 | 0.72 | — | — | |
| SCHEMBL12635001 | 0.72 | — | — | |
| SCHEMBL12634989 | 0.72 | — | — | |
| SCHEMBL11064433 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6266685 | 0.69 | — | — | |
| Bromide SCHEMBL7353025 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL29022205 | 0.69 | — | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1960370-B1 | PYRIDIAZINONE DERIVATIVES FOR TUMOUR TREATMENT | MERCK PATENT GMBH (DE) | 2011-10-05 | — | — | EP | claimed |
| EP-0642513-B1 | INDOLOCARBAZOLE IMIDES AND THEIR USE | KTB TUMORFORSCHUNGSGESELLSCHAF (DE) | 2000-08-09 | — | — | EP | claimed |
| CN-117320706-A | Aminothiol ester compounds or derivatives thereof as immunomodulators | 高级生物设计公司 | 2023-12-29 | — | — | CN | disclosed |
| US-20230210847-A1 | Substituted Alkynylene Compounds As Anticancer Agents | AURIGENE ONCOLOGY LTD (IN) | 2023-07-06 | — | — | US | disclosed |
| US-20230210847-A1 | Substituted Alkynylene Compounds As Anticancer Agents | AURIGENE ONCOLOGY LTD (IN) | 2023-07-06 | — | — | US | disclosed |
| US-20230210847-A1 | Substituted Alkynylene Compounds As Anticancer Agents | AURIGENE ONCOLOGY LTD (IN) | 2023-07-06 | — | — | US | disclosed |
| US-11633394-B2 | Substituted alkynylene compounds as anticancer agents | AURIGENE ONCOLOGY LIMITED (IN) | 2023-04-25 | — | — | US | disclosed |
| CN-114341110-A | Aminothiol ester compound and use thereof | 高级生物设计公司 | 2022-04-12 | — | — | CN | disclosed |
| US-20210379055-A1 | Substituted Alkynylene Compounds As Anticancer Agents | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2021-12-09 | — | — | US | disclosed |
| US-20210379055-A1 | Substituted Alkynylene Compounds As Anticancer Agents | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2021-12-09 | — | — | US | disclosed |
| US-9245290-B2 | Caspase inhibitors and uses thereof | BUCK INSTITUTE FOR RESEARCH ON AGING (US) | 2016-01-26 | — | — | US | disclosed |
| US-8080570-B2 | α2B and α2C agonists | ALLERGAN, INC. (US) | 2011-12-20 | — | — | US | disclosed |
| US-20110230527-A1 | CASPASE INHIBITORS AND USES THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2011-09-22 | — | — | US | disclosed |
| EP-2280707-A1 | ALPHA2B AND ALPHA2C AGONISTS | Allergan, Inc. (US) | 2011-02-09 | — | — | EP | disclosed |
| WO-2010017408-A1 | CASPASE INHIBITORS AND USES THEREOF | THE BUCK INSTITUTE FOR AGE RESEARCH (US) | 2010-02-11 | — | — | WO | disclosed |
| WO-2009137340-A1 | ALPHA2B AND ALPHA2C AGONISTS | ALLERGAN, INC. (US) | 2009-11-12 | — | — | WO | disclosed |
| US-20090275627-A1 | ALPHA2B AND ALPHA2C AGONISTS | ALLERGAN, INC. (US) | 2009-11-05 | — | — | US | disclosed |
| US-4272282-A | ANTIDOTES | BASF AKTIENGESELLSCHAFT (DE) | 1981-06-09 | — | — | US | disclosed |
| US-4249933-A | N-ETHYL-N-ETHYL-BICYCLO(2.2.1) HEPT-2-YL THIOCARBAMATE AND A HALOACYLAMIDE AS ANTAGONIST; PRE- AND POSTEMERGENCE HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1981-02-10 | — | — | US | disclosed |
| US-3933794-A | CENTRAL NERVOUS SYSTEM DEPRESSANTS | THE UPJOHN COMPANY (US) | 1976-01-20 | — | — | US | disclosed |