⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9452636 | 0.85 | — | — | |
| SCHEMBL5822027 | 0.83 | CES2 (0.48) | — | |
| SCHEMBL28102084 | 0.81 | CES2 (0.50) | — | |
| SCHEMBL3228403 | 0.78 | — | — | |
| SCHEMBL11122936 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL11037960 | 0.72 | LMNA (0.48) | — | |
| SCHEMBL11386228 | 0.70 | — | — | |
| SCHEMBL4585161 | 0.70 | — | — | |
| SCHEMBL16240923 | 0.70 | — | — | |
| SCHEMBL10750567 | 0.70 | TSHR (0.54) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021211982-A2 | REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS | OREGON STATE UNIVERSITY (US) | 2021-10-21 | — | — | WO | disclosed |
| EP-0672646-B1 | Process for producing beta-nitro-enamines and intermediates thereof | SUMITOMO CHEMICAL CO (JP) | 1998-06-10 | — | — | EP | disclosed |
| US-5639895-A | Process for producing β-nitroenamine | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-06-17 | — | — | US | disclosed |
| US-5597940-A | REACTING NITROOLEFIN WITH HYDROXYLAMINE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-01-28 | — | — | US | disclosed |
| EP-0672646-A1 | Process for producing beta-nitro-enamines and intermediates thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1995-09-20 | — | — | EP | disclosed |
| EP-0341496-B1 | Modified diene polymer rubbers | SUMITOMO CHEMICAL CO (JP) | 1993-10-20 | — | — | EP | disclosed |
| US-5219938-A | Reacting a living polymer of a conjugated diene with a tin or silicon compound and with a nitro compound, a phosphoryl chloride, aminosilane, an acrylamide or an aminovinylsilane; auto tires; impact strength; cold resistance; storage | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1993-06-15 | — | — | US | disclosed |
| US-5128416-A | Automobile tire treads | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1992-07-07 | — | — | US | disclosed |
| US-5015692-A | Rubbers for tires having impact strength | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1991-05-14 | — | — | US | disclosed |
| US-4957976-A | IMPROVED PROPERTIES FOR AUTOMOBILE TIRES, MODIFIED WITH PHOSPHORYL CHLORIDE | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1990-09-18 | — | — | US | disclosed |
| EP-0341496-A2 | Modified diene polymer rubbers | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1989-11-15 | — | — | EP | disclosed |
| EP-0270071-A2 | Process for preparing modified diene polymer rubbers | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1988-06-08 | — | — | EP | disclosed |
| EP-0005646-B1 | ISOQUINOLINE COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL FORMULATIONS CONTAINING THEM AND INTERMEDIATES | Lilly Industries Limited (GB) | 1982-05-12 | — | — | EP | disclosed |