Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Propane. 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 | |
|---|---|---|---|---|
| Propane SCHEMBL21552058 | 0.83 | — | — | |
| Propane SCHEMBL27383381 | 0.83 | — | — | |
| Propane SCHEMBL27533963 | 0.83 | — | — | |
| Propane SCHEMBL28117240 | 0.83 | — | — | |
| Propane SCHEMBL5168550 | 0.83 | — | — | |
| Propane SCHEMBL28839569 | 0.83 | — | — | |
| Propane SCHEMBL9246294 | 0.82 | — | — | |
| Propane SCHEMBL1021 | 0.82 | — | — | |
| Propane SCHEMBL10956924 | 0.82 | TSHR (0.43) | — | |
| Propane SCHEMBL286506 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5654454-A | REDUCING UNSATURATED SUBSTITUENTS; USED FOR ADDITION POLYMERIZATION OF OLEFINS | PHILLIPS PETROLEUM COMPANY (US) | 1997-08-05 | — | — | US | disclosed |
| EP-0745607-A2 | Metallocene preparation and use | PHILLIPS PETROLEUM COMPANY (US) | 1996-12-04 | — | — | EP | disclosed |