⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15141786 | 0.97 | — | — | |
| SCHEMBL6162852 | 0.97 | — | — | |
| SCHEMBL55575 | 0.97 | — | — | |
| SCHEMBL16667044 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL6438367 | 0.94 | ALDH1A1 (0.42) | — | |
| SCHEMBL10960296 | 0.94 | — | — | |
| Hexane SCHEMBL10406565 | 0.94 | DNM1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL6440538 | 0.94 | ALDH1A1 (0.42) | — | |
| Bromide SCHEMBL18420390 | 0.94 | — | — | |
| SCHEMBL8820052 | 0.94 | — | — |
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-1640398-B1 | TITANIUM-CONTAINING SOLUTIONS, CATALYSTS FOR PRODUCTION OF POLYESTER, PROCESSES FOR PRODUCTION OF POLYESTER RESINS, AND BLOW MOLDINGS OF POLYESTER | MITSUI CHEMICALS INC (JP) | 2014-03-19 | — | — | EP | disclosed |
| CN-1628122-B | Process for producing tertiary phosphine having bulky hydrocarbon group bonded | HOKKO CHEM IND CO | 2010-06-09 | — | — | CN | disclosed |
| CN-100500730-C | Titanium-containing solutions, catalysts for production of polyester, processes for production of polyester resins, and hollow moldings of polyester | MITSUI CHEMICALS INC (JP) | 2009-06-17 | — | — | CN | disclosed |
| US-20070100124-A1 | Titanium-containing solution, catalyst for polyester preparation, process for preparation of polyester resin, and blow molded product comprising polyester | MITSUI CHEMICALS, INC. (JP) | 2007-05-03 | — | — | US | disclosed |
| CN-1809605-A | Titanium-containing solutions, catalysts for production of polyester, processes for production of polyester resins, and blow moldings of polyester | MITSUI CHEMICALS INC (JP) | 2006-07-26 | — | — | CN | disclosed |
| EP-1640398-A1 | TITANIUM-CONTAINING SOLUTIONS, CATALYSTS FOR PRODUCTION OF POLYESTER, PROCESSES FOR PRODUCTION OF POLYESTER RESINS, AND BLOW MOLDINGS OF POLYESTER | Mitsui Chemicals, Inc. (JP) | 2006-03-29 | — | — | EP | disclosed |
| CN-1628122-A | Process for producing tertiary phosphine having bulky hydrocarbon group bonded | HOKKO CHEM IND CO (JP) | 2005-06-15 | — | — | CN | disclosed |