⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7511785 | 1.00 | ALOX15 (0.44) | — | |
| Hydrochloric Acid SCHEMBL29891395 | 0.96 | ALOX15 (0.42) | — | |
| SCHEMBL10552270 | 0.87 | HRH3 (0.39) | — | |
| SCHEMBL651371 | 0.87 | MC4R (0.43) | — | |
| SCHEMBL22573094 | 0.86 | — | — | |
| SCHEMBL263561 | 0.86 | — | — | |
| SCHEMBL3441890 | 0.85 | SIGMAR1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL2966994 | 0.85 | MC4R (0.41) | — | |
| Hydrochloric Acid SCHEMBL1780660 | 0.85 | MC4R (0.41) | — | |
| SCHEMBL11816119 | 0.85 | ALDH1A1 (0.36) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9638690-B2 | Compounds and compositions for use as alkylating agent sensors and methods of use thereof | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2017-05-02 | — | — | US | disclosed |
| US-9638690-B2 | Compounds and compositions for use as alkylating agent sensors and methods of use thereof | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2017-05-02 | — | — | US | disclosed |
| US-20160131641-A1 | COMPOUNDS AND COMPOSITIONS FOR USE AS ALKYLATING AGENT SENSORS AND METHODS OF USE THEREOF | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2016-05-12 | — | — | US | disclosed |
| US-20140142193-A1 | Stabilized Compositions Of Alkylating Agents And Methods Of Using Same | ACTELION PHARMACEUTICALS, LTD. (CH) | 2014-05-22 | — | — | US | disclosed |
| US-20140142193-A1 | Stabilized Compositions Of Alkylating Agents And Methods Of Using Same | ACTELION PHARMACEUTICALS, LTD. (CH) | 2014-05-22 | — | — | US | disclosed |
| US-8501817-B2 | Stabilized compositions of alkylating agents and methods of using same | CEPTARIS THERAPEUTICS, INC. (US) | 2013-08-06 | — | — | US | disclosed |
| US-20100029783-A9 | STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME | HELSINN HEALTHCARE SA (CH) | 2010-02-04 | — | — | US | disclosed |
| US-20100029783-A9 | STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME | HELSINN HEALTHCARE SA (CH) | 2010-02-04 | — | — | US | disclosed |
| US-20090247645-A1 | STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME | HELSINN BIREX PHARMACEUTICALS LIMITED (IE) | 2009-10-01 | — | — | US | disclosed |
| US-20090247645-A1 | STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME | HELSINN BIREX PHARMACEUTICALS LIMITED (IE) | 2009-10-01 | — | — | US | disclosed |
| US-4173580-A | Production of β-haloalkylaminosulfonyl halides | BASF AKTIENGESELLSCHAFT (DE) | 1979-11-06 | — | — | US | disclosed |
| US-4014931-A | FROM AZIRIDINE AND SULFURYL HALIDE | BASF AKTIENGESELLSCHAFT (DT) | 1977-03-29 | — | — | US | disclosed |