⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10248708 | 0.97 | ALDH1A1 (0.45) | — | |
| SCHEMBL10246527 | 0.97 | ALDH1A1 (0.45) | — | |
| SCHEMBL10248697 | 0.94 | — | — | |
| SCHEMBL10246602 | 0.88 | — | — | |
| SCHEMBL10246596 | 0.82 | SIGMAR1 (0.47) | — | |
| SCHEMBL10246754 | 0.80 | CXCR4 (0.47) | — | |
| SCHEMBL22651891 | 0.79 | ALDH1A1 (0.44) | — | |
| SCHEMBL10248689 | 0.79 | ALDH1A1 (0.44) | — | |
| SCHEMBL10696338 | 0.77 | OPRD1 (0.40) | — | |
| SCHEMBL10246598 | 0.77 | KDM4E (0.50) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116014240-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same | 三菱化学株式会社 | 2023-04-25 | — | — | CN | disclosed |
| US-9720324-B2 | Resist composition and pattern forming process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-08-01 | — | — | US | disclosed |
| US-20170031243-A1 | RESIST COMPOSITION AND PATTERN FORMING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-02-02 | — | — | US | disclosed |
| US-20120041193-A1 | SUBSTITUTED INTERNAL VINYL-BORONIC ACIDS AND BORONIC ACID DERIVATIVES | FRONTIER SCIENTIFIC, INC. (US) | 2012-02-16 | — | — | US | disclosed |
| WO-2008008821-A2 | USE OF TRIFLUOROMETHYL SUBSTITUTED BENZAMIDES IN THE TREATMENT OF NEUROLOGICAL DISORDERS | NOVARTIS AG (CH) | 2008-01-17 | — | — | WO | disclosed |
| EP-0812307-B1 | METHOD FOR INHIBITING HYDRATE FORMATION | EXXON PRODUCTION RESEARCH CO (US) | 1998-12-30 | — | — | EP | disclosed |
| EP-0812307-A4 | — | — | 1997-12-17 | — | — | EP | disclosed |
| EP-0812307-A1 | METHOD FOR INHIBITING HYDRATE FORMATION | EXXON PRODUCTION RESEARCH COMPANY (US) | 1997-12-17 | — | — | EP | disclosed |
| WO-1996041784-A1 | METHOD FOR INHIBITING HYDRATE FORMATION | EXXON PRODUCTION RESEARCH COMPANY (US) | 1996-12-27 | — | — | WO | disclosed |
| US-4526932-A | Copolymer containing N-coordinated triorganotin compound | NITTO KASEI CO., LTD. (JP) | 1985-07-02 | — | — | US | disclosed |
| EP-0091039-A2 | Anti-fouling agent | Nitto Kasei Co., Ltd. (JP) | 1983-10-12 | — | — | EP | disclosed |