Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Ethane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL1613325 | 0.87 | — | — | |
| Ethane SCHEMBL11422043 | 0.87 | — | — | |
| Ethane SCHEMBL669200 | 0.87 | — | — | |
| Ethane SCHEMBL10904760 | 0.87 | — | — | |
| Ethane SCHEMBL7201214 | 0.87 | — | — | |
| Ethane SCHEMBL5922900 | 0.87 | CA1 (0.33) | — | |
| Ethane SCHEMBL5922904 | 0.87 | — | — | |
| Ethane SCHEMBL7199526 | 0.87 | — | — | |
| Ethane SCHEMBL9289585 | 0.87 | — | — | |
| Ethane SCHEMBL5922691 | 0.87 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109485595-A | Indole carboxamides analog derivative, preparation method and its application in medicine that hydrophilic radical replaces | 江苏恒瑞医药股份有限公司 | 2019-03-19 | — | — | CN | disclosed |