⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2892165 | 0.78 | — | — | |
| SCHEMBL38137 | 0.78 | — | — | |
| Ethyne SCHEMBL29048410 | 0.67 | — | — | |
| SCHEMBL4892757 | 0.67 | — | — | |
| Ethyne SCHEMBL428 | 0.63 | — | — | |
| Ethyne SCHEMBL27961050 | 0.63 | — | — | |
| Ethyne SCHEMBL6272096 | 0.63 | — | — | |
| Ethyne SCHEMBL144006 | 0.63 | — | — | |
| Ethyne SCHEMBL4753041 | 0.63 | — | — | |
| Ethyne SCHEMBL11301880 | 0.60 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0021051-B1 | A PROCESS FOR THE PREPARATION OF 1,4-BUTYNEDIOL AND RELATED CATALYST | SISAS SOCIETA'ITALIANA SERIE ACETICA E SINTETICA SPA (IT) | 1983-03-16 | — | — | EP | disclosed |
| US-4288641-A | FROM ACETYLENE AND FORMALDEHYDE USING COPPER ACETYLIDE SUPPORTED ON AND BONDED TO MOLECULAR SIEVE OR ZEOLITE BY ION EXCHANGE | SOCIETA ITALIANA SERIE ACETICA SINTETICA S.P.A. (IT) | 1981-09-08 | — | — | US | disclosed |
| EP-0021051-A1 | A process for the preparation of 1,4-butynediol and related catalyst | SISAS SOCIETA'ITALIANA SERIE ACETICA E SINTETICA SPA (IT) | 1981-01-07 | — | — | EP | disclosed |