Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Heptane. 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 | |
|---|---|---|---|---|
| Pentadecane SCHEMBL31325852 | 1.00 | TSHR (0.89) | — | |
| Decane SCHEMBL4069588 | 1.00 | TSHR (0.89) | — | |
| Dodecane SCHEMBL1436181 | 1.00 | TSHR (0.89) | — | |
| Heptane SCHEMBL2124278 | 1.00 | — | — | |
| Decane SCHEMBL6404763 | 1.00 | TSHR (0.89) | — | |
| Decane SCHEMBL6379470 | 1.00 | TSHR (0.89) | — | |
| Iodide SCHEMBL9769999 | 1.00 | TSHR (0.89) | — | |
| Iodide SCHEMBL6404777 | 1.00 | TSHR (0.89) | — | |
| Nonane SCHEMBL132977 | 1.00 | TSHR (0.89) | — | |
| Tridecane SCHEMBL31325853 | 1.00 | TSHR (0.89) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108473327-B | Molecular sieve SSZ-106, its synthesis and use | 雪佛龙美国公司 | 2021-07-02 | — | — | CN | disclosed |
| CN-108473327-A | Molecular sieve SSZ-106, its synthesis and purposes | 雪佛龙美国公司 | 2018-08-31 | — | — | CN | disclosed |
| CN-1014789-B | PROCESS FOR PREPARING REPLACABLE BRIDGED HEAVY NITROGEN BICYCLOALKYL CARBOSTYRIL CARBOXYLIC ACID | PFIZER (US) | 1991-11-20 | — | — | CN | disclosed |
| US-5027157-A | Developing device provided with electrodes for inducing a traveling wave on the developing material | MINOLTA CAMERA KABUSHIKI KAISHA (JP) | 1991-06-25 | — | — | US | disclosed |
| US-4867541-A | FILM FORMED BY PLASMA POLYMERIZATION OF PHTHALOCYANINE COMPOUND | MINOLTA CAMERA KABUSHIKI KAISHA (JP) | 1989-09-19 | — | — | US | disclosed |
| US-4828369-A | ELECTROLYTES, PLASMA POLYMERIZATION OF HYDROCARBON, ALKALI METAL /COMPOUND/, ELECTRONEGATIVITY | MINOLTA CAMERA KABUSHIKI KAISHA (JP) | 1989-05-09 | — | — | US | disclosed |
| CN-86106385-A | The bridge-type diazonium bicyclic alkyl quinolone carboxylic acid that replaces | — | 1987-06-03 | — | — | CN | disclosed |