Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Butane. 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 | |
|---|---|---|---|---|
| Butane SCHEMBL9815469 | 0.86 | — | — | |
| Butane SCHEMBL20917800 | 0.86 | — | — | |
| Butane SCHEMBL22773725 | 0.86 | — | — | |
| Butane SCHEMBL11117794 | 0.86 | TSHR (0.40) | — | |
| Butane SCHEMBL8628663 | 0.84 | TSHR (0.50) | — | |
| Butane SCHEMBL9292387 | 0.84 | TSHR (0.50) | — | |
| Butane SCHEMBL3593 | 0.84 | — | — | |
| Butane SCHEMBL2470336 | 0.84 | TSHR (0.50) | — | |
| Butane SCHEMBL1734106 | 0.84 | — | — | |
| Butane SCHEMBL1617316 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8394920-B2 | Composition for resin and optical lens obtained therefrom | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2013-03-12 | — | — | US | disclosed |
| US-20100331515-A1 | COMPOSITION FOR RESIN AND OPTICAL LENS OBTAINED THEREFROM | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2010-12-30 | — | — | US | disclosed |
| EP-2243798-A1 | COMPOSITION FOR RESIN AND OPTICAL LENS OBTAINED THEREFROM | Mitsubishi Gas Chemical Company, Inc. (JP) | 2010-10-27 | — | — | EP | disclosed |