⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19512652 | 0.94 | SOS1 (0.31) | — | |
| SCHEMBL24958339 | 0.92 | ALDH1A1 (0.31) | — | |
| SCHEMBL3253074 | 0.86 | — | — | |
| SCHEMBL10697164 | 0.82 | — | — | |
| SCHEMBL11890967 | 0.79 | — | — | |
| SCHEMBL6408324 | 0.78 | — | — | |
| SCHEMBL6408327 | 0.78 | SLC6A2 (0.35) | — | |
| SCHEMBL14139353 | 0.78 | — | — | |
| SCHEMBL3818633 | 0.77 | — | — | |
| SCHEMBL27814842 | 0.77 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013177269-A2 | ZIRCONIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION | L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) | 2013-11-28 | — | — | WO | claimed |
| WO-2013177292-A1 | TITANIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION | L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) | 2013-11-28 | — | — | WO | claimed |
| WO-2013177284-A1 | HAFNIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION | L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) | 2013-11-28 | — | — | WO | claimed |
| EP-3541381-B1 | INHIBITORS OF FACTOR XIIA | MERCK SHARP & DOHME LLC (US) | 2022-12-28 | — | — | EP | disclosed |
| EP-3661941-B1 | THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2022-12-14 | — | — | EP | disclosed |
| WO-2013177269-A2 | ZIRCONIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION | L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) | 2013-11-28 | — | — | WO | disclosed |
| WO-2013177292-A1 | TITANIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION | L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) | 2013-11-28 | — | — | WO | disclosed |
| WO-2013177284-A1 | HAFNIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION | L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) | 2013-11-28 | — | — | WO | disclosed |
| US-5554787-A | CHEMICAL INTERMEDIATES FOR POLYURETHANES | BASF AKTIENGESELLSCHAFT (DE) | 1996-09-10 | — | — | US | disclosed |
| EP-0449110-B1 | 2,2-Dialkylpentane-1,5-diisocyanates, -diurethanes, and -dicarbamic acid chlorides, process for their preparation and their use | BASF AG (DE) | 1996-06-05 | — | — | EP | disclosed |
| EP-0452693-B1 | Method of preparing 2,2-disubstituted pentane 1,5-diamines | BASF AG (DE) | 1995-10-04 | — | — | EP | disclosed |
| US-5166443-A | PREPARATION OF 2,2-DISUBSTITUTED PENTANE-1,5-DIAMINES | BASF AKTIENGESELLSCHAFT (DE) | 1992-11-24 | — | — | US | disclosed |
| EP-0452693-A1 | Method of preparing 2,2-disubstituted pentane 1,5-diamines | BASF Aktiengesellschaft (DE) | 1991-10-23 | — | — | EP | disclosed |
| EP-0449110-A2 | 2,2-Dialkylpentane-1,5-diisocyanates, -diurethanes, and -dicarbamic acid chlorides, process for their preparation and their use | BASF Aktiengesellschaft (DE) | 1991-10-02 | — | — | EP | disclosed |