⚠ 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 | |
|---|---|---|---|---|
| Phosphonic Acid SCHEMBL28476491 | 0.92 | CES2 (0.38) | — | |
| Phosphonic Acid SCHEMBL28485200 | 0.89 | TSHR (0.42) | — | |
| Phosphonic Acid SCHEMBL28480311 | 0.89 | TSHR (0.42) | — | |
| Phosphonic Acid SCHEMBL28474204 | 0.84 | — | — | |
| Phosphonic Acid SCHEMBL28480036 | 0.77 | — | — | |
| Phosphonic Acid SCHEMBL28413458 | 0.71 | — | — | |
| Butane SCHEMBL20539619 | 0.70 | CES2 (0.33) | — | |
| Phosphonic Acid SCHEMBL7193174 | 0.69 | DNM1 (0.57) | — | |
| Tetrabuthylammonium SCHEMBL16426823 | 0.69 | SLC22A1 (0.67) | — | |
| Phosphonic Acid SCHEMBL28411312 | 0.69 | CES2 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111919147-B | Near-infrared-absorbing composition, near-infrared-absorbing film, and image sensor for solid-state imaging element | 柯尼卡美能达株式会社 | 2022-04-26 | — | — | CN | disclosed |
| CN-110462461-B | Ultraviolet and infrared absorbing composition and ultraviolet and infrared absorbing filter | 日本板硝子株式会社 | 2021-12-31 | — | — | CN | disclosed |
| CN-113677687-A | Light absorbing composition and optical filter | 日本板硝子株式会社 | 2021-11-19 | — | — | CN | disclosed |
| CN-112189153-A | Near-infrared-absorbing composition, near-infrared-absorbing film, and image sensor for solid-state imaging element | 柯尼卡美能达株式会社 | 2021-01-05 | — | — | CN | disclosed |
| CN-111919147-A | Near-infrared-absorbing composition, near-infrared-absorbing film, and image sensor for solid-state imaging element | 柯尼卡美能达株式会社 | 2020-11-10 | — | — | CN | disclosed |