Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Methylsulfanylmethane. 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 | |
|---|---|---|---|---|
| Methylsulfanylmethane SCHEMBL6938962 | 0.83 | — | — | |
| Methylsulfanylmethane SCHEMBL5440614 | 0.82 | — | — | |
| Methylsulfanylmethane SCHEMBL1618 | 0.82 | — | — | |
| Methylsulfanylmethane SCHEMBL1330443 | 0.82 | — | — | |
| Methylsulfanylmethane SCHEMBL23701635 | 0.73 | — | — | |
| Methylsulfanylmethane SCHEMBL5139388 | 0.73 | — | — | |
| Methylsulfanylmethane SCHEMBL6940181 | 0.73 | — | — | |
| Methylsulfanylmethane SCHEMBL18834572 | 0.73 | — | — | |
| Methylsulfanylmethane SCHEMBL21037463 | 0.73 | — | — | |
| Methylsulfanylmethane SCHEMBL10814145 | 0.73 | — | — |
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-0712412-B1 | 15,15-DIALKYL-SUBSTITUTED DERIVATIVES OF ESTRADIOL | SCHERING AG (DE) | 1999-01-07 | — | — | EP | disclosed |
| US-5656622-A | 15,15-dialkyl-substituted derivatives of estradiol | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-08-12 | — | — | US | disclosed |
| US-5587496-A | HIGH ESTROGENIC EFFECTIVENESS; CAN BE USED FOR TREATING ESTROGEN DEFICIENCY SYMPTOMS | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-12-24 | — | — | US | disclosed |
| EP-0712412-A1 | 15,15-DIALKYL-SUBSTITUTED DERIVATIVES OF ESTRADIOL | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-05-22 | — | — | EP | disclosed |
| WO-1995004070-A1 | 15,15-DIALKYL-SUBSTITUTED DERIVATIVES OF ESTRADIOL | SCHERING AKTIENGESELLSCHAFT (DE) | 1995-02-09 | — | — | WO | disclosed |
| EP-0257419-A1 | Process for the preparation of antibacterial 7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-03-02 | — | — | EP | disclosed |