⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7351194 | 0.92 | — | — | |
| SCHEMBL10356418 | 0.90 | LMNA (0.38) | — | |
| Butyl Alcohol SCHEMBL27802091 | 0.85 | ALDH1A1 (0.50) | — | |
| SCHEMBL28763522 | 0.85 | MEN1 (0.40) | — | |
| SCHEMBL765642 | 0.82 | — | — | |
| SCHEMBL17656329 | 0.82 | — | — | |
| SCHEMBL10356415 | 0.82 | DNM1 (0.36) | — | |
| Ethylene Glycol SCHEMBL27835504 | 0.82 | TSHR (0.46) | — | |
| SCHEMBL26133659 | 0.81 | TDP1 (0.32) | — | |
| SCHEMBL21069301 | 0.80 | TSHR (0.50) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022040518-A1 | BIORESORBABLE, STEREOCHEMICALLY DEFINED ELASTOMERS AND METHODS OF MAKING AND USING SAME | DUKE UNIVERSITY (US) | 2022-02-24 | — | — | WO | disclosed |
| US-6222023-B1 | USEFUL AS REACTIVE DYES; DYEING PERFORMANCE SUCH AS UILD-UP PROPERTY, LEVELING PROPERTY; COLORFASTNESS OF DYED PRODUCT, REPRODUCIBILITY; FOR DYEING FIBERS DARK BLUE; SUITED FOR CELLULOSE FIBERS | SUMITOMO CHEMICAL, COMPANY, LIMITED (JP) | 2001-04-24 | — | — | US | disclosed |
| US-6214977-B1 | DARK-BLUE DYEING OF CELLULOSE FIBER MATERIALS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2001-04-10 | — | — | US | disclosed |
| US-5998591-A | COLORFASTNESS; PHOTOSTABILITY; RED, ORANGE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1999-12-07 | — | — | US | disclosed |
| US-5962655-A | RED DYE FOR CELLULOSE, POLYAMIDES, POLYURETHANES, LEATHER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1999-10-05 | — | — | US | disclosed |