Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Pentane. 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 | |
|---|---|---|---|---|
| Pentane SCHEMBL8164715 | 1.00 | TSHR (0.58) | — | |
| Pentane SCHEMBL8775173 | 1.00 | TSHR (0.58) | — | |
| Pentane SCHEMBL4046165 | 1.00 | TSHR (0.58) | — | |
| Pentane SCHEMBL28422642 | 0.96 | TSHR (0.54) | — | |
| Pentane SCHEMBL28295749 | 0.96 | TSHR (0.54) | — | |
| Pentane SCHEMBL28424709 | 0.96 | TSHR (0.54) | — | |
| Pentane SCHEMBL28447741 | 0.96 | TSHR (0.54) | — | |
| Pentane SCHEMBL28451792 | 0.96 | TSHR (0.54) | — | |
| Pentane SCHEMBL28425556 | 0.93 | TSHR (0.50) | — | |
| Pentane SCHEMBL28428185 | 0.93 | TSHR (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116490201-A | Inhibitors of YAP/TAZ-TEAD tumor proteins, their synthesis and use | 布里奇恩生物科学公司 | 2023-07-25 | — | — | CN | disclosed |
| CN-106732824-A | The regeneration washing liquid and the renovation process of denitrating catalyst of a kind of denitrating catalyst | 重庆明珠环保工程有限公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-102161824-B | Rigid polyurethane foam having an excellent insulating ability and method for preparing the same | CHEIL IND INC | 2014-01-08 | — | — | CN | disclosed |
| CN-102161824-A | Rigid polyurethane foam having an excellent insulating ability and method for preparing the same | CHEIL IND INC | 2011-08-24 | — | — | CN | disclosed |
| EP-2327740-A2 | Rigid polyurethane foam having an excellent insulating ability and method for preparing the same | Cheil Industries Inc. (KR) | 2011-06-01 | — | — | EP | disclosed |
| US-5557944-A | USING A HYDROFLUOROCARBON SYSTEM REFRIGERANT WITH A POLYOL ESTER SYSTEM OIL | SANYO ELECTRIC CO., LTD. (JP) | 1996-09-24 | — | — | US | disclosed |