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 SCHEMBL8670983 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL3674619 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL7195313 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL9073095 | 0.75 | MEN1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL524857 | 0.74 | GPR3 (0.30) | — | |
| Hydrochloric Acid SCHEMBL3685366 | 0.71 | — | — | |
| Bromide SCHEMBL7927972 | 0.71 | GPR3 (0.30) | — | |
| Iodide SCHEMBL7930604 | 0.71 | GPR3 (0.30) | — | |
| Hydrochloric Acid SCHEMBL7931288 | 0.71 | HTR1A (0.31) | — | |
| Diphenylmethane SCHEMBL8779570 | 0.69 | MAPT (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-5631203-A | Metallocene compounds and preparation thereof containing terminal alkynes | PHILLIPS PETROLEUM COMPANY (US) | 1997-05-20 | — | — | US | disclosed |