⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8510919 | 0.91 | FFAR4 (0.32) | — | |
| SCHEMBL9289952 | 0.89 | HTR1A (0.30) | — | |
| SCHEMBL31337373 | 0.86 | S1PR1 (0.34) | — | |
| SCHEMBL18102181 | 0.86 | S1PR1 (0.34) | — | |
| SCHEMBL18099438 | 0.86 | RARA (0.31) | — | |
| SCHEMBL8510586 | 0.85 | MCHR1 (0.33) | — | |
| SCHEMBL18102121 | 0.84 | S1PR1 (0.34) | — | |
| SCHEMBL18099432 | 0.84 | S1PR1 (0.34) | — | |
| SCHEMBL1186786 | 0.83 | S1PR1 (0.36) | — | |
| SCHEMBL18099449 | 0.82 | MCHR1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8647538-B2 | Photochromic compounds having at least two photochromic moieties | TRANSITIONS OPTICAL, INC. (US) | 2014-02-11 | — | — | US | disclosed |
| US-20120136148-A1 | Photochromic Compounds Having At Least Two Photochromic Moieties | TRANSITIONS OPTICAL, INC. (US) | 2012-05-31 | — | — | US | disclosed |