⚠ 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 SCHEMBL601780 | 0.81 | MMP2 (0.39) | — | |
| SCHEMBL4330743 | 0.79 | ALDH1A1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL600761 | 0.78 | ALDH1A1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL194414 | 0.77 | PGK1 (0.37) | — | |
| SCHEMBL1226951 | 0.76 | MEN1 (0.39) | — | |
| SCHEMBL10000931 | 0.76 | PTPN5 (0.38) | — | |
| SCHEMBL19757277 | 0.75 | MMP2 (0.34) | — | |
| Hydrochloric Acid SCHEMBL601282 | 0.75 | ACHE (0.40) | — | |
| Hydrochloric Acid SCHEMBL604164 | 0.75 | PTPN5 (0.38) | — | |
| Hydrochloric Acid SCHEMBL210855 | 0.74 | MEN1 (0.38) | — |
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-8294974-B2 | Electrochromic material and electrochromic device including the same | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2012-10-23 | — | — | US | disclosed |
| US-20110235150-A1 | ELECTROCHROMIC MATERIAL AND ELECTROCHROMIC DEVICE INCLUDING THE SAME | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2011-09-29 | — | — | US | disclosed |