Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Ethyne. 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 | |
|---|---|---|---|---|
| Ethyne SCHEMBL1072332 | 1.00 | — | — | |
| Ethyne SCHEMBL11861627 | 1.00 | — | — | |
| Ethyne SCHEMBL11118593 | 0.87 | — | — | |
| Ethyne SCHEMBL7632731 | 0.87 | — | — | |
| Ethyne SCHEMBL9088715 | 0.87 | — | — | |
| Ethyne SCHEMBL667647 | 0.87 | — | — | |
| Ethyne SCHEMBL31067704 | 0.87 | — | — | |
| Ethyne SCHEMBL667649 | 0.87 | — | — | |
| Ethyne SCHEMBL4174371 | 0.75 | — | — | |
| Ethyne SCHEMBL4180865 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5357017-A | Macrocyclic poly-conjugated system and macrocyclic poly-conjugated composition | MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) | 1994-10-18 | — | — | US | disclosed |