⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL727751 | 0.96 | TSHR (0.44) | — | |
| Aniline SCHEMBL11803 | 0.64 | — | — | |
| Benzene SCHEMBL732720 | 0.64 | CYP3A4 (0.91) | — | |
| SCHEMBL357515 | 0.64 | — | — | |
| SCHEMBL1231625 | 0.64 | — | — | |
| Aniline SCHEMBL16922171 | 0.64 | — | — | |
| Aniline SCHEMBL11811648 | 0.64 | TSHR (1.00) | — | |
| SCHEMBL22003326 | 0.64 | CYP3A4 (0.91) | — | |
| SCHEMBL22096536 | 0.64 | TSHR (1.00) | — | |
| SCHEMBL18517570 | 0.64 | TSHR (1.00) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1572752-B1 | POLYMERIZATION PROCESSES | EXXONMOBIL CHEM PATENTS INC (US) | 2014-08-13 | — | — | EP | claimed |
| EP-1578806-B1 | POLYMERIZATION PROCESSES | EXXONMOBIL CHEM PATENTS INC (US) | 2013-05-22 | — | — | EP | claimed |
| EP-1761574-B1 | POLYMERIZATION PROCESS USING HYDROFLUOROCARBONS | EXXONMOBIL CHEM PATENTS INC (US) | 2012-06-13 | — | — | EP | claimed |
| EP-1572751-B1 | POLYMERIZATION PROCESSES | EXXONMOBIL CHEM PATENTS INC (US) | 2010-06-23 | — | — | EP | claimed |
| CN-1972974-B | polymerization process using hydrofluorocarbons | EXXONMOBIL CHEM PATENTS INC | 2010-05-12 | — | — | CN | claimed |
| CN-1972974-A | Polymerization process using hydrofluorocarbons | EXXONMOBIL CHEM PATENTS INC (US) | 2007-05-30 | — | — | CN | claimed |
| CN-116836362-A | Polymer containing polymetallic-oxygen cluster, and preparation method and application thereof | 南京大学 | 2023-10-03 | — | — | CN | disclosed |
| CN-101448861-B | Process for preparing polybutadiene | UBE INDUSTRIES | 2012-04-25 | — | — | CN | disclosed |
| US-20090143548-A1 | Method for producing polybutadiene | UBE INDUSTRIES, LTD. (JP) | 2009-06-04 | — | — | US | disclosed |
| CN-101448861-A | Method for producing polybutadiene | UBE INDUSTRIES (JP) | 2009-06-03 | — | — | CN | disclosed |
| EP-2028196-A1 | METHOD FOR PRODUCING POLYBUTADIENE | Ube Industries, Ltd. (JP) | 2009-02-25 | — | — | EP | disclosed |
| EP-0919574-B1 | Polymerization catalyst, process for the preparation of conjugated diene polymer in the presence thereof and polybutadiene thus prepared | UBE INDUSTRIES (JP) | 2004-02-11 | — | — | EP | disclosed |
| US-6300450-B1 | Conjugated diene compound polymerization catalyst process for the preparation of conjugated diene polymer in the presence thereof and polybutadiene thus prepared | UBE INDUSTRIES, LTD. (JP) | 2001-10-09 | — | — | US | disclosed |