⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16468814 | 0.94 | — | — | |
| SCHEMBL38322 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL20995323 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL28967109 | 0.89 | — | — | |
| Methane SCHEMBL28266916 | 0.89 | — | — | |
| Benzene SCHEMBL10961778 | 0.80 | TSHR (0.44) | — | |
| Hypochlorous Acid SCHEMBL11409574 | 0.80 | — | — | |
| 2,2,3-Trimethylbutane SCHEMBL11528678 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL29204348 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL599901 | 0.74 | TSHR (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5284976-A | Method of producing primary amines in high yields | ALDRICH CHEMICAL COMPANY, INC. (US) | 1994-02-08 | — | — | US | disclosed |
| US-5276195-A | Process for producing dimethylorganoboranes | ALDRICH CHEMICAL COMPANY, INC. (US) | 1994-01-04 | — | — | US | disclosed |
| US-5214209-A | Method of producing primary amines in high yields and novel intermediates therefor | ALDRICH CHEMICAL COMPANY, INC. (US) | 1993-05-25 | — | — | US | disclosed |
| US-5210310-A | Optically active dimethylorganoboranes | ALDRICH CHEMICAL CO., INC. (US) | 1993-05-11 | — | — | US | disclosed |
| US-5087700-A | Method of producing primary amines in high yields | ALDRICH CHEMICAL COMPANY, INC. (US) | 1992-02-11 | — | — | US | disclosed |
| US-4918229-A | Method of producing primary amines in high yields and novel intermediates therefor | ALDRICH CHEMICAL COMPANY, INC. (US) | 1990-04-17 | — | — | US | disclosed |