⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8767986 | 0.80 | — | — | |
| SCHEMBL66347 | 0.76 | — | — | |
| SCHEMBL1415089 | 0.76 | — | — | |
| SCHEMBL1100249 | 0.72 | — | — | |
| SCHEMBL1280829 | 0.71 | — | — | |
| SCHEMBL719096 | 0.69 | ALDH1A1 (0.67) | — | |
| SCHEMBL1011508 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL8895147 | 0.69 | — | — | |
| SCHEMBL17550102 | 0.67 | — | — | |
| SCHEMBL1311257 | 0.67 | ALDH1A1 (0.72) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102548954-A | Method for producing 2,2-difluoroethylamine by hydrogenating 1,1-difluoro-2-nitroethane | BAYER CROPSCIENCE AG | 2012-07-04 | — | — | CN | claimed |
| US-4767864-A | Process for the preparation of nitromethylene derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1988-08-30 | — | — | US | claimed |
| CN-116063210-B | Method for chiral synthesis of D-p-methylsulfonyl phenylserine ethyl ester | 山东国邦药业有限公司 | 2023-06-27 | — | — | CN | disclosed |
| CN-116063210-A | Method for chiral synthesis of D-p-methylsulfonyl phenylserine ethyl ester | 山东国邦药业有限公司 | 2023-05-05 | — | — | CN | disclosed |
| CN-109999856-A | It is a kind of for synthesizing the catalyst, preparation method and application of 2,2- difluoroethylamine | 陕西神光化学工业有限公司 | 2019-07-12 | — | — | CN | disclosed |
| CN-109400483-A | The production technology of one kind 2,2- difluoroethylamine | 南通宝凯化工有限公司 | 2019-03-01 | — | — | CN | disclosed |
| US-20180002322-A1 | BICYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-01-04 | — | — | US | disclosed |
| CN-102548954-B | Method for producing 2,2-difluoroethylamine by hydrogenating 1,1-difluoro-2-nitroethane | BAYER CROPSCIENCE AG | 2014-04-16 | — | — | CN | disclosed |
| US-8329718-B2 | N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-12-11 | — | — | US | disclosed |
| CN-102548954-A | Method for producing 2,2-difluoroethylamine by hydrogenating 1,1-difluoro-2-nitroethane | BAYER CROPSCIENCE AG | 2012-07-04 | — | — | CN | disclosed |
| US-20100197716-A1 | N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS | BRISTOL-MYERS SQUIBB COMPANY | 2010-08-05 | — | — | US | disclosed |
| US-7728008-B2 | N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-06-01 | — | — | US | disclosed |
| US-7605144-B2 | Enzyme catalyzed therapeutic compounds | CELMED ONCOLOGY (USA), INC. (CA) | 2009-10-20 | — | — | US | disclosed |
| US-7601703-B2 | Enzyme catalyzed therapeutic agents | CELMED ONCOLOGY (USA), INC. (CA) | 2009-10-13 | — | — | US | disclosed |
| US-7550499-B2 | Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-06-23 | — | — | US | disclosed |
| US-7462605-B2 | Phosphoramidate compounds and methods of use | CELMED ONCOLOGY (USA), INC. (CA) | 2008-12-09 | — | — | US | disclosed |
| US-7419968-B1 | Methods for treating therapy-resistant tumors | CELMED ONCOLOGY (USA), INC. (CA) | 2008-09-02 | — | — | US | disclosed |
| US-4767864-A | Process for the preparation of nitromethylene derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1988-08-30 | — | — | US | disclosed |
| US-4767864-A | Process for the preparation of nitromethylene derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1988-08-30 | — | — | US | disclosed |