⚠ 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 SCHEMBL720171 | 0.99 | POLB (0.32) | — | |
| SCHEMBL7103774 | 0.86 | ALDH1A1 (0.31) | — | |
| SCHEMBL8010077 | 0.86 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL722285 | 0.85 | — | — | |
| SCHEMBL8016683 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL714780 | 0.84 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL714654 | 0.83 | — | — | |
| SCHEMBL2013003 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL715175 | 0.82 | — | — | |
| SCHEMBL5616337 | 0.82 | CYP3A4 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6329478-B1 | SOLUBILITY IN SATURATED HYDROCARBON SOLVENTS | SUMITMO CHEMICAL COMPANY, LIMITED | 2001-12-11 | — | — | US | disclosed |
| US-6084048-A | SPECIFIED 1-BUTENE-PROPYLENE COPOLYMER WITH NO CRYSTALLINE MELTING PEAK AND NO CRYSTALLIZATION PEAK ACCORDING TO A DIFFERENTIAL SCANNING CALORIMETER MEASUREMENT; BLENDS WITH POLYOLEFINS HAVING FLEXIBILITY, ELONGATION, WEAR RESISTANCE | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 2000-07-04 | — | — | US | disclosed |