⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24324397 | 0.74 | — | — | |
| SCHEMBL6628969 | 0.72 | — | — | |
| SCHEMBL24323583 | 0.71 | — | — | |
| SCHEMBL27628418 | 0.71 | — | — | |
| SCHEMBL18650431 | 0.70 | — | — | |
| SCHEMBL26168048 | 0.65 | — | — | |
| SCHEMBL4343812 | 0.64 | TDP1 (0.39) | — | |
| SCHEMBL910279 | 0.64 | — | — | |
| SCHEMBL27472259 | 0.63 | — | — | |
| SCHEMBL28259942 | 0.61 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109790274-A | URETHANE RESIN USING POLYROTAXANE, AND POLISHING PAD | 株式会社德山 | 2019-05-21 | — | — | CN | disclosed |
| CN-109563219-A | Photochromic curable composition and its purposes and polyrotaxane monomer | 株式会社德山 | 2019-04-02 | — | — | CN | disclosed |
| CN-105683334-B | Photochromic composition | 株式会社德山 | 2018-04-10 | — | — | CN | disclosed |
| CN-107835951-A | Photochromic coating composition | 株式会社德山 | 2018-03-23 | — | — | CN | disclosed |
| CN-107207851-A | Method for producing photochromic cured product | 株式会社德山 | 2017-09-26 | — | — | CN | disclosed |
| CN-105683334-A | Photochromic composition | 株式会社德山 | 2016-06-15 | — | — | CN | disclosed |