⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12350125 | 0.75 | — | — | |
| Tert-Butyl Formate SCHEMBL21925517 | 0.75 | — | — | |
| Tert-Butyl Formate SCHEMBL27624226 | 0.75 | — | — | |
| Tert-Butyl Formate SCHEMBL27533051 | 0.75 | TDP1 (0.87) | — | |
| SCHEMBL12350123 | 0.75 | — | — | |
| Tert-Butyl Formate SCHEMBL1671 | 0.74 | — | — | |
| Tert-Butyl Formate SCHEMBL30378535 | 0.74 | TDP1 (1.00) | — | |
| Tert-Butyl Formate SCHEMBL27699300 | 0.72 | TDP1 (0.68) | — | |
| Tert-Butyl Formate SCHEMBL28465801 | 0.71 | — | — | |
| Tert-Butyl Formate SCHEMBL9398245 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0888284-B1 | LOW-MELTING ESTERQUATS | CLARIANT GMBH (DE) | 2001-10-24 | — | — | EP | claimed |
| US-6072063-A | Low-melting ester quats | CLARIANT GMBH (DE) | 2000-06-06 | — | — | US | claimed |
| EP-0888284-B1 | LOW-MELTING ESTERQUATS | CLARIANT GMBH (DE) | 2001-10-24 | — | — | EP | disclosed |
| US-6072063-A | Low-melting ester quats | CLARIANT GMBH (DE) | 2000-06-06 | — | — | US | disclosed |
| US-6072063-A | Low-melting ester quats | CLARIANT GMBH (DE) | 2000-06-06 | — | — | US | disclosed |
| EP-0888284-A1 | LOW-MELTING ESTERQUATS | Clariant GmbH (DE) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997031888-A1 | LOW-MELTING ESTERQUATS | CLARIANT GMBH (DE) | 1997-09-04 | — | — | WO | disclosed |
| US-5290353-A | Vaterite and production method | LHOIST RECHERCHE ET DEVELOPPEMENT S.A. (BE) | 1994-03-01 | — | — | US | disclosed |