⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL181409 | 0.93 | — | — | |
| Ethylene Glycol SCHEMBL29202248 | 0.90 | TSHR (0.36) | — | |
| SCHEMBL29131063 | 0.90 | — | — | |
| SCHEMBL15283499 | 0.87 | — | — | |
| SCHEMBL28984743 | 0.87 | — | — | |
| Formaldehyde SCHEMBL27673189 | 0.84 | — | — | |
| 1,4-Butanediol SCHEMBL22260990 | 0.84 | SMN1; SMN2 (0.33) | — | |
| Methoxymethane SCHEMBL11575540 | 0.81 | — | — | |
| SCHEMBL29043779 | 0.79 | KDM4E (0.35) | — | |
| SCHEMBL11577712 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |