⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3414491 | 1.00 | — | — | |
| SCHEMBL9245613 | 1.00 | — | — | |
| SCHEMBL283712 | 1.00 | — | — | |
| SCHEMBL150344 | 0.98 | — | — | |
| Fluoride SCHEMBL28617038 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL29064898 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL29090538 | 0.94 | KDM1A (0.31) | — | |
| SCHEMBL20858697 | 0.91 | KDM1A (0.31) | — | |
| SCHEMBL283961 | 0.91 | KDM1A (0.31) | — | |
| Sulfuric Acid SCHEMBL11865879 | 0.87 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120004763-A | Process for the preparation of isocyanate compounds comprising non-chlorinated derivatives and compositions thereof | KS试验研究株式会社 | 2025-05-16 | — | — | CN | disclosed |
| CN-116018336-B | Process for the preparation of isocyanate compounds comprising non-chlorinated derivatives and compositions thereof | KS试验研究株式会社 | 2025-02-18 | — | — | CN | disclosed |
| CN-119306632-A | Process for the preparation of isocyanate compounds comprising non-chlorinated derivatives and compositions thereof | KS试验研究株式会社 | 2025-01-14 | — | — | CN | disclosed |
| CN-119306631-A | Process for the preparation of isocyanate compounds comprising non-chlorinated derivatives and compositions thereof | KS试验研究株式会社 | 2025-01-14 | — | — | CN | disclosed |
| CN-118591525-A | Preparation method of ester thiol compound and optical resin comprising same | KS光学株式会社 | 2024-09-03 | — | — | CN | disclosed |
| CN-113874413-B | Polymerizable composition and optical material using same | SKC株式会社 | 2024-01-02 | — | — | CN | disclosed |
| CN-116018336-A | Process for the preparation of isocyanate compounds comprising non-chlorinated derivatives and compositions thereof | KS试验研究株式会社 | 2023-04-25 | — | — | CN | disclosed |
| CN-113874413-A | Polymerizable composition and optical material using same | SKC株式会社 | 2021-12-31 | — | — | CN | disclosed |
| CN-112004797-A | Process for preparing polythiols having improved storage stability | SKC株式会社 | 2020-11-27 | — | — | CN | disclosed |
| CN-107810178-B | Method for producing 3-mercaptopropionic acid, and method for producing carboxylate compound having mercapto group and thiourethane optical material using the same | 可奥熙搜路司有限公司 | 2020-04-28 | — | — | CN | disclosed |