⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3625734 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL7985533 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL22587374 | 0.79 | — | — | |
| SCHEMBL28100042 | 0.79 | — | — | |
| SCHEMBL28671191 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL28842474 | 0.78 | — | — | |
| SCHEMBL5390125 | 0.78 | MEN1 (0.30) | — | |
| SCHEMBL29279664 | 0.78 | — | — | |
| SCHEMBL6607749 | 0.78 | — | — | |
| SCHEMBL26968998 | 0.78 | ALDH1A1 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4544735-A | Preparation of poly(arylene sulfide) from halothiophenol and alkaline metal hydroxide | PHILLIPS PETROLEUM COMPANY (US) | 1985-10-01 | — | — | US | claimed |
| US-6765003-B1 | ANTICARCINOGENIC, ANTITUMOR, AND ANTIMETASTASIS AGENTS; RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPOROSIS, MULTIPLE SCLEROSIS, STROKE, ARTERIOSCLEROSIS, | PHARMACIA ITALIA, SPA (IT) | 2004-07-20 | — | — | US | disclosed |
| EP-1200398-A1 | 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS | Pharmacia Italia S.p.A. (IT) | 2002-05-02 | — | — | EP | disclosed |
| WO-2001005756-A1 | 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS | PHARMACIA & UPJOHN SPA (IT) | 2001-01-25 | — | — | WO | disclosed |
| US-5328980-A | Promoters with halothiophenol compounds and polar organic compounds | PHILLIPS PETROLEUM COMPANY (US) | 1994-07-12 | — | — | US | disclosed |
| EP-0604778-A2 | Method of preparing poly(arylene sulfide)polymers, polymers, and polymer blends | PHILLIPS PETROLEUM COMPANY (US) | 1994-07-06 | — | — | EP | disclosed |
| US-4544735-A | Preparation of poly(arylene sulfide) from halothiophenol and alkaline metal hydroxide | PHILLIPS PETROLEUM COMPANY (US) | 1985-10-01 | — | — | US | disclosed |