⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL27747411 | 1.00 | — | — | |
| SCHEMBL8468547 | 0.96 | TSHR (1.00) | — | |
| SCHEMBL7040 | 0.96 | — | — | |
| SCHEMBL1871536 | 0.96 | TSHR (1.00) | — | |
| Ammonia Solution, Strong SCHEMBL1539045 | 0.92 | — | — | |
| Water SCHEMBL29052302 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL6678273 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL9417079 | 0.92 | TSHR (0.92) | — | |
| Hydrogen Sulfide SCHEMBL6037218 | 0.92 | TSHR (0.92) | — | |
| Water SCHEMBL11778550 | 0.92 | TSHR (0.92) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109790269-B | Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer | 旭化成株式会社 | 2022-06-14 | — | — | CN | disclosed |
| CN-109803992-B | Isocyanate composition and method for producing isocyanate polymer | 旭化成株式会社 | 2022-05-24 | — | — | CN | disclosed |
| CN-107963982-B | Polyisocyanate composition and isocyanate polymer composition | 旭化成株式会社 | 2021-11-12 | — | — | CN | disclosed |
| CN-112979917-A | Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer | 旭化成株式会社 | 2021-06-18 | — | — | CN | disclosed |