⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3839670 | 0.90 | TSHR (0.60) | — | |
| SCHEMBL8814639 | 0.90 | TSHR (0.60) | — | |
| SCHEMBL2722834 | 0.90 | TSHR (0.60) | — | |
| SCHEMBL380054 | 0.90 | TSHR (0.60) | — | |
| SCHEMBL928933 | 0.82 | — | — | |
| SCHEMBL26665741 | 0.80 | FOLH1 (0.59) | — | |
| SCHEMBL4281481 | 0.79 | FOLH1 (0.73) | — | |
| SCHEMBL11797545 | 0.79 | FOLH1 (0.52) | — | |
| SCHEMBL868777 | 0.79 | — | — | |
| SCHEMBL288014 | 0.79 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0128833-B1 | MONO AND DITHIO ESTERS, THEIR PREPARATION AND USES | SOCIETE NATIONALE ELF AQUITAINE (PRODUCTION) (FR) | 1987-03-25 | — | — | EP | claimed |
| US-4521301-A | COLLECTORS FOR MINERAL FLOTATION | SOCIETE NATIONALE ELF AQUITAINE (PRODUCTION) (FR) | 1985-06-04 | — | — | US | claimed |
| EP-0128833-A1 | Mono and dithio esters, their preparation and uses | SOCIETE NATIONALE ELF AQUITAINE (PRODUCTION) (FR) | 1984-12-19 | — | — | EP | claimed |
| US-4870016-A | CHANGING SOLUBILITY OF ENZYMES | LEVESQUE GUY (FR) | 1989-09-26 | — | — | US | disclosed |
| US-4521301-A | COLLECTORS FOR MINERAL FLOTATION | SOCIETE NATIONALE ELF AQUITAINE (PRODUCTION) (FR) | 1985-06-04 | — | — | US | disclosed |
| US-4455262-A | DEESTERIFICATION | SOCIETE NATIONALE ELF AQUITAINE (PRODUCTION) (FR) | 1984-06-19 | — | — | US | disclosed |