⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL28156172 | 0.97 | DNM1 (0.72) | — | |
| Acetonitrile SCHEMBL6657168 | 0.97 | DNM1 (0.72) | — | |
| Dodecylamine SCHEMBL11141942 | 0.97 | DNM1 (0.72) | — | |
| Acetonitrile SCHEMBL7350818 | 0.97 | DNM1 (0.72) | — | |
| Butylamine SCHEMBL4595521 | 0.91 | — | — | |
| SCHEMBL27428943 | 0.88 | DNM1 (0.67) | — | |
| Water SCHEMBL2490250 | 0.87 | — | — | |
| Water SCHEMBL28766473 | 0.87 | — | — | |
| Bromide SCHEMBL28151368 | 0.86 | DNM1 (0.68) | — | |
| Thiocyanic Acid SCHEMBL17273596 | 0.86 | DNM1 (0.63) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105393400-B | Sodium molten salt electrolyte battery | 住友电气工业株式会社 | 2017-08-29 | — | — | CN | disclosed |
| CN-104271571-B | Tetrazolinone compound and use thereof | 住友化学株式会社 | 2017-07-07 | — | — | CN | disclosed |
| CN-104797567-B | Dihydropyrone compound and herbicide containing the same | 住友化学株式会社 | 2017-06-20 | — | — | CN | disclosed |
| CN-104245689-B | Terazololine-one compound and its purposes as insecticide | 住友化学株式会社 | 2017-06-06 | — | — | CN | disclosed |
| CN-106397479-A | Preparation method of sodium ibandronate | 安徽省润生医药股份有限公司 | 2017-02-15 | — | — | CN | disclosed |
| CN-104684909-B | Terazololine-one compound and the purposes as insecticide thereof | 住友化学株式会社 | 2016-10-12 | — | — | CN | disclosed |
| CN-104684908-B | Terazololine-one compound and the purposes as insecticide thereof | 住友化学株式会社 | 2016-09-28 | — | — | CN | disclosed |
| CN-101034086-B | Method for detecting impurity in disodium creatine phosphate | SHANGHAI HUATUO MEDICAL SCIENCE CO LTD | 2010-05-19 | — | — | CN | disclosed |
| CN-100488968-C | Medicinal disodium creatine phosphate hexahydrate and preparing method thereof | SHANGHAI HUATUO MEDICAL SCIENC (CN) | 2009-05-20 | — | — | CN | disclosed |
| US-7446219-B2 | N-acylaminoacetonitrile derivatives and their use for controlling parasites | NOVARTIS ANIMAL HEALTH US INC. (US) | 2008-11-04 | — | — | US | disclosed |
| CN-101034086-A | Method for detecting impurity in disodium creatine phosphate | SHANGHAI HUATUO MEDICAL SCIENC (CN) | 2007-09-12 | — | — | CN | disclosed |
| CN-101033237-A | Medicinal disodium creatine phosphate hexahydrate and preparing method thereof | SHANGHAI HUATUO MEDICAL SCIENC (CN) | 2007-09-12 | — | — | CN | disclosed |
| CN-1309715-C | N-acylaminoacetonitrile derivatives and their use for controlling parasites | NOVARTIS AG (CH) | 2007-04-11 | — | — | CN | disclosed |
| US-20050182127-A1 | N-acylaminoacetonitrile derivatives and their use for controlling parasites | NOVARTIS ANIMAL HEALTH US, INC. | 2005-08-18 | — | — | US | disclosed |
| CN-1649579-A | N-acylaminoacetonitrile derivatives and their use for controlling parasites | NOVARTIS AG (CH) | 2005-08-03 | — | — | CN | disclosed |