⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9764014 | 0.87 | CA1 (0.30) | — | |
| SCHEMBL9003134 | 0.79 | — | — | |
| SCHEMBL11246030 | 0.79 | TSHR (0.39) | — | |
| SCHEMBL924381 | 0.77 | TDP1 (0.30) | — | |
| SCHEMBL2900803 | 0.77 | TSHR (0.40) | — | |
| SCHEMBL25401335 | 0.76 | HDAC2 (0.31) | — | |
| SCHEMBL454872 | 0.76 | TSHR (0.43) | — | |
| SCHEMBL14938319 | 0.74 | CA1 (0.31) | — | |
| SCHEMBL2479661 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL631275 | 0.73 | MEN1 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5045575-A | Phosphito Titanate or Zirconate Couplers | GENERAL DYNAMICS CORPORATION, CONVAIR DIVISION (US) | 1991-09-03 | — | — | US | claimed |
| CN-107868406-A | Capacitive type sensor resin composition for encapsulating and capacitive type sensor | 住友电木株式会社 | 2018-04-03 | — | — | CN | disclosed |
| CN-105980892-A | Laminate and image display device | 日东电工株式会社 | 2016-09-28 | — | — | CN | disclosed |