⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4706518 | 0.81 | — | — | |
| SCHEMBL13654866 | 0.79 | — | — | |
| SCHEMBL1436798 | 0.78 | TAAR1 (0.32) | — | |
| SCHEMBL20640963 | 0.72 | — | — | |
| SCHEMBL5421134 | 0.71 | — | — | |
| SCHEMBL9132195 | 0.69 | — | — | |
| SCHEMBL25434933 | 0.67 | — | — | |
| SCHEMBL22175632 | 0.67 | — | — | |
| SCHEMBL4363987 | 0.67 | — | — | |
| SCHEMBL1891521 | 0.67 | — | — |
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-1399159-A4 | 4-SUBSTITUTED-1-(ARYLMETHYLIDENE)THIOSEMICARBAZIDE, 4-SUBSTITUTED-1-(ARYLCARBONYL)THIOSEMICARBAZIDE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF | CYTOVIA INC (US) | 2007-02-14 | — | — | EP | disclosed |
| EP-1399159-A1 | 4-SUBSTITUTED-1-(ARYLMETHYLIDENE)THIOSEMICARBAZIDE, 4-SUBSTITUTED-1-(ARYLCARBONYL)THIOSEMICARBAZIDE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF | Cytovia, Inc. (US) | 2004-03-24 | — | — | EP | disclosed |
| WO-2002098420-A1 | 4-SUBSTITUTED-1-(ARYLMETHYLIDENE)THIOSEMICARBAZIDE, 4-SUBSTITUTED-1-(ARYLCARBONYL)THIOSEMICARBAZIDE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF | CYTOVIA, INC. (US) | 2002-12-12 | — | — | WO | disclosed |
| WO-2002022576-A2 | 3-SUBSTITUTED INDOLE CARBOHYDRAZIDES USEFUL AS CELL PROLIFERATION AND ANGIOGENESIS INHIBITORS | ABBOTT LABORATORIES (US) | 2002-03-21 | — | — | WO | disclosed |