⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28082955 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL3713946 | 0.75 | — | — | |
| SCHEMBL31227385 | 0.75 | — | — | |
| SCHEMBL538571 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL4093688 | 0.74 | CYP3A4 (0.41) | — | |
| Hydrochloric Acid SCHEMBL11189738 | 0.74 | TSHR (0.33) | — | |
| Water SCHEMBL27730446 | 0.73 | TSHR (0.36) | — | |
| SCHEMBL712432 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL10478328 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL6136634 | 0.71 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12600728-B2 | Interleukin-17 inhibitors | NOVARTIS AG (CH) | 2026-04-14 | — | — | US | disclosed |
| US-20250388541-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2025-12-25 | — | — | US | disclosed |
| EP-4511117-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | Vertex Pharmaceuticals Incorporated (US) | 2025-02-26 | — | — | EP | disclosed |
| US-20230391782-A1 | INTERLEUKIN-17 INHIBITORS | NOVARTIS AG (CH) | 2023-12-07 | — | — | US | disclosed |
| WO-2023205465-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-26 | — | — | WO | disclosed |
| CN-110072857-A | 1, 3-disubstituted cyclobutanone or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors | 葛兰素史密斯克莱知识产权发展有限公司 | 2019-07-30 | — | — | CN | disclosed |
| CN-107922387-A | HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATMENT OF CANCER | 阿沙纳生物科学公司 | 2018-04-17 | — | — | CN | disclosed |
| US-4426526-A | HISTAMINE ANTAGONISTS, ANTIINFLAMMATORY, ANTISECRETORY | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1984-01-17 | — | — | US | disclosed |
| US-4264608-A | HISTAMINE ANTAGONISTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1981-04-28 | — | — | US | disclosed |
| US-4215126-A | HISTAMINE H2 BLOCKING | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1980-07-29 | — | — | US | disclosed |
| US-4156727-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-05-29 | — | — | US | disclosed |
| US-4154838-A | ANTIHISTAMINE | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-05-15 | — | — | US | disclosed |