⚠ 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL9955552 | 0.84 | CA5A (0.32) | — | |
| Hydrochlorthiazide SCHEMBL15510491 | 0.77 | — | — | |
| Sulfuric Acid SCHEMBL15510720 | 0.77 | — | — | |
| Hydrochlorthiazide SCHEMBL4020517 | 0.75 | — | — | |
| Sulfamide SCHEMBL4012488 | 0.75 | CA1 (0.32) | — | |
| Hydrochlorthiazide SCHEMBL7553499 | 0.75 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3991498 | 0.74 | ALDH1A1 (0.38) | — | |
| Hydrochlorthiazide SCHEMBL450348 | 0.74 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL6069955 | 0.73 | ALDH1A1 (0.33) | — | |
| Hydrochlorthiazide SCHEMBL1422022 | 0.72 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106986865-A | On Mental disease or the compound and medical composition of malignant tumour | 国立大学法人京都大学 | 2017-07-28 | — | — | CN | disclosed |
| CN-104520303-B | Compound and pharmaceutical composition for mental and neurological diseases or malignant tumors | 国立大学法人京都大学 | 2017-04-12 | — | — | CN | disclosed |
| CN-104520303-A | Compound and pharmaceutical composition for mental and neurological diseases or malignant tumors | NAT UNIV CORP KYOTO UNIV | 2015-04-15 | — | — | CN | disclosed |
| CN-102245586-B | Thiadiazole-substituted arylamides | HOFFMANN LA ROCHE | 2014-07-09 | — | — | CN | disclosed |
| CN-102245586-A | Thiadiazole-substituted arylamides | HOFFMANN LA ROCHE | 2011-11-16 | — | — | CN | disclosed |
| US-5846986-A | Therapeutic phenoxyalkylazoles and phenoxyalkylazines | SANOFI (FR) | 1998-12-08 | — | — | US | disclosed |
| US-5721261-A | TREATING PICORNAVIRUS INFECTIONS | SANOFI PHARMACEUTICALS, INC. (US) | 1998-02-24 | — | — | US | disclosed |
| US-5552420-A | TREATING PICORNAVIRAL INFECTIONS | STERLING WINTHROP INC. (US) | 1996-09-03 | — | — | US | disclosed |
| WO-1995031452-A1 | THERAPEUTIC PHENOXYALKYLAZOLES AND PHENOXYALKYLAZINES | SANOFI WINTHROP, INC. (US) | 1995-11-23 | — | — | WO | disclosed |