⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8066553 | 0.84 | — | — | |
| SCHEMBL9573733 | 0.82 | — | — | |
| SCHEMBL7872148 | 0.82 | — | — | |
| SCHEMBL4755462 | 0.82 | — | — | |
| SCHEMBL7845769 | 0.82 | — | — | |
| SCHEMBL7872193 | 0.79 | TSHR (0.33) | — | |
| SCHEMBL16766059 | 0.79 | — | — | |
| SCHEMBL15978327 | 0.79 | — | — | |
| SCHEMBL2929604 | 0.79 | — | — | |
| SCHEMBL11631605 | 0.79 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0719839-B1 | Phthalocyanine compounds and optical recording media comprising them | MITSUI CHEMICALS INC (JP) | 2001-07-25 | — | — | EP | disclosed |
| US-6060325-A | Detection and monitoring of toxic halogenated compounds | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 2000-05-09 | — | — | US | disclosed |
| EP-0929560-A1 | CHIRAL FERROCENYLS | Novartis AG (CH) | 1999-07-21 | — | — | EP | disclosed |
| EP-0908925-A2 | Determining halogen toxicity level of halogenated compounds | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1999-04-14 | — | — | EP | disclosed |
| WO-1998015565-A1 | CHIRAL FERROCENYLS | NOVARTIS AG (CH) | 1998-04-16 | — | — | WO | disclosed |
| US-5693396-A | NEAR INFRARED LIGHT ABSORBERS | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-12-02 | — | — | US | disclosed |
| EP-0719839-A2 | Phthalocyanine compounds and optical recording media comprising them | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1996-07-03 | — | — | EP | disclosed |