Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9125699 | 0.80 | HTR6 (0.35) | — | |
| SCHEMBL5597184 | 0.76 | SIGMAR1 (0.41) | — | |
| SCHEMBL29658875 | 0.76 | SIGMAR1 (0.41) | — | |
| SCHEMBL7656352 | 0.74 | SIGMAR1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL7931277 | 0.72 | ALDH1A1 (0.39) | — | |
| Ethylene SCHEMBL10454556 | 0.71 | SIGMAR1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL7899361 | 0.70 | SIGMAR1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL8540100 | 0.69 | MEN1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL7942774 | 0.68 | — | — | |
| SCHEMBL8159013 | 0.68 | MEN1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1123938-A2 | Organometallic fluorenyl compounds, preparation, and use | PHILLIPS PETROLEUM COMPANY (US) | 2001-08-16 | — | — | EP | disclosed |
| EP-0672675-A1 | Organometallic fluorenyl compounds, preparation, and use | PHILLIPS PETROLEUM COMPANY (US) | 1995-09-20 | — | — | EP | disclosed |
| US-5451649-A | Organometallic fluorenyl compounds, preparation, and use | PHILLIPS PETROLEUM COMPANY (US) | 1995-09-19 | — | — | US | disclosed |