⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL21750611 | 0.91 | TP53 (0.50) | — | |
| Benzene SCHEMBL27627628 | 0.91 | — | — | |
| Benzene SCHEMBL28290239 | 0.91 | TP53 (0.50) | — | |
| Benzene SCHEMBL27588414 | 0.91 | TP53 (0.50) | — | |
| Benzene SCHEMBL891552 | 0.89 | — | — | |
| Benzene SCHEMBL5317629 | 0.89 | TSHR (0.75) | — | |
| Benzene SCHEMBL28488648 | 0.89 | — | — | |
| Benzene SCHEMBL9480737 | 0.89 | TSHR (0.75) | — | |
| Benzene SCHEMBL692782 | 0.89 | — | — | |
| Benzene SCHEMBL27473863 | 0.89 | TSHR (0.75) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-6279385-A | — | — | None | — | — | JP | disclosed |
| CN-105664223-B | Cosmetic preparation, skin preparations for extenal use and medical instrument | 日产化学工业株式会社 | 2018-12-04 | — | — | CN | disclosed |
| CN-105885816-B | Pressure break drag reducer | 黑龙江勇峰化工添加剂有限公司 | 2018-06-01 | — | — | CN | disclosed |
| CN-104905984-B | Cosmetic preparation, skin preparations for extenal use and medical instrument | 日产化学工业株式会社 | 2018-02-02 | — | — | CN | disclosed |
| CN-105885816-A | Novel drag reducer for fracturing | 黑龙江勇峰化工添加剂有限公司 | 2016-08-24 | — | — | CN | disclosed |
| JP-H06279385-A | N-(2-HYDRAZINOETHYL)-N-(2-(PHENYLMETHOXY)ETHYL) BENZENE METHANE AMINE. | WARNER LAMBERT CO | 1994-10-04 | — | — | JP | disclosed |