⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15204297 | 0.77 | ALDH1A1 (1.00) | — | |
| SCHEMBL15204295 | 0.77 | ALDH1A1 (1.00) | — | |
| SCHEMBL15092886 | 0.77 | ALDH1A1 (1.00) | — | |
| SCHEMBL23183408 | 0.74 | — | — | |
| SCHEMBL11749077 | 0.70 | CYP1A2 (0.40) | — | |
| SCHEMBL381502 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL20350820 | 0.69 | — | — | |
| SCHEMBL11745559 | 0.69 | ALDH1A1 (0.73) | — | |
| SCHEMBL11745565 | 0.69 | ALDH1A1 (0.73) | — | |
| SCHEMBL23635286 | 0.67 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4317829-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1982-03-02 | — | — | US | disclosed |
| US-4284640-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1981-08-18 | — | — | US | disclosed |
| US-4277485-A | INHIBITORS OF GASTRIC ACID SECRETION | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1981-07-07 | — | — | US | disclosed |
| US-4220652-A | INHIBITORS OF H-2 HISTAMINE RECEPTORS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1980-09-02 | — | — | US | disclosed |
| US-4153704-A | HETEROCYCLIC-ALKYL-AMINO SUBSTITUTED, ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-05-08 | — | — | US | disclosed |
| US-4124717-A | INHIBITORS OF H-2 HISTAMINE RECEPTORS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1978-11-07 | — | — | US | disclosed |
| US-4075001-A | 3-Aminoisothiazole derivatives as herbicides | FMC CORPORATION (US) | 1978-02-21 | — | — | US | disclosed |
| US-4057416-A | 3-Alkylthio-, 3-alkylsulfinyl-, and 3-alkylsulfonylisothiazole derivatives as herbicides | FMC CORPORATION (US) | 1977-11-08 | — | — | US | disclosed |
| US-4024260-A | INHIBITS H-2 HISTAMINE RECEPTORS | SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) | 1977-05-17 | — | — | US | disclosed |