Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of 1,4-Butanediol. 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 | |
|---|---|---|---|---|
| 1,4-Butanediol SCHEMBL15086 | 0.88 | — | — | |
| 1,4-Butanediol SCHEMBL18642519 | 0.88 | SMN1; SMN2 (0.58) | — | |
| 1,4-Butanediol SCHEMBL30932429 | 0.88 | — | — | |
| 1,4-Butanediol SCHEMBL18642509 | 0.88 | SMN1; SMN2 (0.58) | — | |
| 1,4-Butanediol SCHEMBL324322 | 0.88 | SMN1; SMN2 (0.58) | — | |
| SCHEMBL25302278 | 0.82 | TSHR (0.61) | — | |
| 1,4-Butanediol SCHEMBL21611909 | 0.82 | — | — | |
| SCHEMBL21462773 | 0.82 | TSHR (0.61) | — | |
| 1,4-Butanediol SCHEMBL22638763 | 0.82 | — | — | |
| 1,4-Butanediol SCHEMBL21542368 | 0.82 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0544290-B1 | Moisture stable polyurethane biasable transfer members | EASTMAN KODAK CO (US) | 1998-04-01 | — | — | EP | disclosed |
| US-5217838-A | Blend of polyurethane and ionizable tin compound | EASTMAN KODAK COMPANY (US) | 1993-06-08 | — | — | US | disclosed |
| EP-0544290-A2 | Moisture stable polyurethane biasable transfer members | EASTMAN KODAK COMPANY (US) | 1993-06-02 | — | — | EP | disclosed |
| US-5212032-A | Multilayer resilient element with polyurethanes and polyethers with ferric halide salts | EASTMAN KODAK COMPANY (US) | 1993-05-18 | — | — | US | disclosed |
| US-5156915-A | Support surface to attract charged toner particles of an electroconductive substrate coated with a resilient crosslinked elastomer | EASTMAN KODAK COMPANY (US) | 1992-10-20 | — | — | US | disclosed |