⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7457417 | 0.73 | — | — | |
| SCHEMBL9541377 | 0.72 | — | — | |
| SCHEMBL5139910 | 0.72 | — | — | |
| Formaldehyde SCHEMBL14052372 | 0.71 | — | — | |
| SCHEMBL29622 | 0.69 | — | — | |
| SCHEMBL9110174 | 0.69 | — | — | |
| SCHEMBL10000892 | 0.69 | — | — | |
| SCHEMBL4669760 | 0.69 | — | — | |
| SCHEMBL561117 | 0.69 | — | — | |
| SCHEMBL17996675 | 0.69 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0616995-B1 | Process for the preparation of 1,3,5-triacetylbenzene | BASF AG (DE) | 1996-12-18 | — | — | EP | claimed |
| EP-0620217-B1 | Process for the preparation of 4-methyl-pyrimidines | BASF AG (DE) | 1996-05-29 | — | — | EP | claimed |
| EP-0620217-A1 | Process for the preparation of 4-methyl-pyrimidines | BASF Aktiengesellschaft (DE) | 1994-10-19 | — | — | EP | claimed |
| EP-0616995-A1 | Process for the preparation of 1,3,5-triacetylbenzene | BASF Aktiengesellschaft (DE) | 1994-09-28 | — | — | EP | claimed |
| EP-1828224-B1 | COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES | AMBRX INC (US) | 2016-04-06 | — | — | EP | disclosed |
| US-20110009392-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION | 2011-01-13 | — | — | US | disclosed |
| EP-2230282-A1 | Oil-based inkjet recording ink | FUJIFILM Corporation (JP) | 2010-09-22 | — | — | EP | disclosed |
| US-6121284-A | SPECIFIED 1-(ALKYL OR CYCLOALKYL)-2-METHYL-3-(ALKOXYCARBONYL)-4-(SUBSTITUTED PYRIDYL OR ARYL)-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE COMPOUNDS; TREATING SICKLE CELL ANEMIA, PSYCHOSES, DEPRESSION | BAYER AKTIENGESELLSCHAFT (DE) | 2000-09-19 | — | — | US | disclosed |
| EP-0616995-B1 | Process for the preparation of 1,3,5-triacetylbenzene | BASF AG (DE) | 1996-12-18 | — | — | EP | disclosed |
| EP-0620217-B1 | Process for the preparation of 4-methyl-pyrimidines | BASF AG (DE) | 1996-05-29 | — | — | EP | disclosed |
| EP-0679625-A2 | Process for the preparation of 2,3,6-trimethylphenol | BASF AKTIENGESELLSCHAFT (DE) | 1995-11-02 | — | — | EP | disclosed |
| EP-0620217-A1 | Process for the preparation of 4-methyl-pyrimidines | BASF Aktiengesellschaft (DE) | 1994-10-19 | — | — | EP | disclosed |
| EP-0620217-A1 | Process for the preparation of 4-methyl-pyrimidines | BASF Aktiengesellschaft (DE) | 1994-10-19 | — | — | EP | disclosed |
| EP-0616995-A1 | Process for the preparation of 1,3,5-triacetylbenzene | BASF Aktiengesellschaft (DE) | 1994-09-28 | — | — | EP | disclosed |
| EP-0616995-A1 | Process for the preparation of 1,3,5-triacetylbenzene | BASF Aktiengesellschaft (DE) | 1994-09-28 | — | — | EP | disclosed |