⚠ 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 | |
|---|---|---|---|---|
| Allyl Formate SCHEMBL2447 | 0.97 | — | — | |
| Allyl Formate SCHEMBL28167544 | 0.94 | — | — | |
| Allyl Formate SCHEMBL2542358 | 0.94 | — | — | |
| Allyl Formate SCHEMBL27414284 | 0.94 | — | — | |
| Allyl Formate SCHEMBL9860287 | 0.94 | — | — | |
| Allyl Formate SCHEMBL2544058 | 0.94 | — | — | |
| Allyl Formate SCHEMBL2542362 | 0.94 | — | — | |
| Allyl Formate SCHEMBL1101439 | 0.94 | — | — | |
| Allyl Formate SCHEMBL9776692 | 0.94 | — | — | |
| Allyl Formate SCHEMBL6585245 | 0.86 | CYP3A4 (0.34) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109054779-A | Drilling fluid reservoir protection sealing agent and preparation method thereof | 中国石油集团渤海钻探工程有限公司 | 2018-12-21 | — | — | CN | claimed |
| CN-103524397-B | A kind of 3-sulfimide base Benzazole compounds and preparation method thereof | XIANGTAN UNIVERSITY (CN) | 2016-02-10 | — | — | CN | claimed |
| CN-103524397-A | 3-sulfimidyl indole compound and preparation method thereof | UNIV XIANGTAN | 2014-01-22 | — | — | CN | claimed |
| CN-109054779-A | Drilling fluid reservoir protection sealing agent and preparation method thereof | 中国石油集团渤海钻探工程有限公司 | 2018-12-21 | — | — | CN | disclosed |
| CN-109054779-A | Drilling fluid reservoir protection sealing agent and preparation method thereof | 中国石油集团渤海钻探工程有限公司 | 2018-12-21 | — | — | CN | disclosed |
| CN-103524397-B | A kind of 3-sulfimide base Benzazole compounds and preparation method thereof | XIANGTAN UNIVERSITY (CN) | 2016-02-10 | — | — | CN | disclosed |
| CN-103524397-A | 3-sulfimidyl indole compound and preparation method thereof | UNIV XIANGTAN | 2014-01-22 | — | — | CN | disclosed |
| US-8288497-B2 | Synthesis of poly-(P-aryleneethynylene)s in neat water under aerobic conditions | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2012-10-16 | — | — | US | disclosed |
| US-20110257356-A1 | Synthesis of Poly-(P-Aryleneethynylene)s in Neat Water Under Aerobic Conditions | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2011-10-20 | — | — | US | disclosed |
| US-20090326150-A1 | SYNTHESIS OF POLY-(P-ARYLENEETHYNYLENE)S IN NEAT WATER UNDER AEROBIC CONDIT | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2009-12-31 | — | — | US | disclosed |