⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11354075 | 0.76 | — | — | |
| SCHEMBL11369637 | 0.76 | — | — | |
| SCHEMBL11668537 | 0.76 | — | — | |
| SCHEMBL11355828 | 0.74 | EPAS1 (0.32) | — | |
| SCHEMBL11352370 | 0.72 | — | — | |
| SCHEMBL19929697 | 0.70 | EPAS1 (0.36) | — | |
| SCHEMBL11365832 | 0.70 | — | — | |
| SCHEMBL19929695 | 0.70 | EPAS1 (0.40) | — | |
| SCHEMBL11353487 | 0.70 | — | — | |
| SCHEMBL11360771 | 0.69 | TSHR (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107427816-B | Hydrogenation and ethynylation catalysts | 巴斯夫公司 | 2021-03-05 | — | — | CN | 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 |