⚠ 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 | |
|---|---|---|---|---|
| Tetradecane SCHEMBL27310494 | 1.00 | TSHR (0.80) | — | |
| Methylamine SCHEMBL29180330 | 1.00 | TSHR (0.80) | — | |
| Nonane SCHEMBL27821904 | 1.00 | TSHR (0.80) | — | |
| Octane SCHEMBL638950 | 1.00 | TSHR (0.80) | — | |
| Tetradecane SCHEMBL11863474 | 1.00 | TSHR (0.80) | — | |
| Hexadecane SCHEMBL11859645 | 1.00 | TSHR (0.80) | — | |
| Octane SCHEMBL8164265 | 1.00 | TSHR (0.80) | — | |
| Methylamine SCHEMBL6912272 | 1.00 | TSHR (0.80) | — | |
| Nonane SCHEMBL28685868 | 1.00 | TSHR (0.80) | — | |
| Decane SCHEMBL27863918 | 1.00 | TSHR (0.80) | — |
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-104936941-A | Process for forming primary, secondary or tertiary amines via direct amination reaction | RHODIA OPERATIONS | 2015-09-23 | — | — | CN | claimed |
| CN-105636930-B | Method for forming primary, secondary or tertiary amines via direct amination | 罗地亚经营管理公司 | 2018-09-18 | — | — | CN | disclosed |
| CN-105636930-A | Method for forming primary, secondary or tertiary amines via direct amination | RHODIA OPERATIONS | 2016-06-01 | — | — | CN | disclosed |
| CN-104936941-A | Process for forming primary, secondary or tertiary amines via direct amination reaction | RHODIA OPERATIONS | 2015-09-23 | — | — | CN | disclosed |
| EP-1028843-A1 | MULTICOMPONENT STRUCTURES HAVING IMPROVED ADHESION | AlliedSignal Inc. (US) | 2000-08-23 | — | — | EP | disclosed |
| WO-1999024242-A1 | MULTICOMPONENT STRUCTURES HAVING IMPROVED ADHESION | ALLIEDSIGNAL INC. (US) | 1999-05-20 | — | — | WO | disclosed |
| US-5189216-A | Isolation of a carboxylic acid from an aqueous solution thereof | BASF AKTIENGESELLSCHAFT (DE) | 1993-02-23 | — | — | US | disclosed |
| EP-0511439-A1 | Stabilized APMS-54 composition | UOP (US) | 1992-11-04 | — | — | EP | disclosed |
| US-5013535-A | Treatment with boric acid, stabilizing crystal structure, molecular sieves | UOP (US) | 1991-05-07 | — | — | US | disclosed |
| US-4217460-A | Isolation of formic acid from its aqueous solutions | BASF AKTIENGESELLSCHAFT (DE) | 1980-08-12 | — | — | US | disclosed |