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 SCHEMBL9065089 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL8664222 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL8670983 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL3041072 | 0.69 | GPR3 (0.30) | — | |
| Hydrochloric Acid SCHEMBL524857 | 0.69 | GPR3 (0.30) | — | |
| SCHEMBL8664361 | 0.68 | HTR2A (0.52) | — | |
| SCHEMBL7052950 | 0.67 | HTR2A (0.33) | — | |
| Hydrochloric Acid SCHEMBL5610020 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL8666949 | 0.67 | — | — | |
| Bromide SCHEMBL7939130 | 0.66 | GPR3 (0.30) | — |
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-5744666-A | Process for preparing an alkynyl fulvene group containing compound and said compound | PHILLIPS PETROLEUM COMPANY (US) | 1998-04-28 | — | — | US | disclosed |
| US-5728908-A | Process for preparing a bridged ligand and said bridged ligand | PHILLIPS PETROLEUM COMPANY (US) | 1998-03-17 | — | — | US | disclosed |