⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9483260 | 0.94 | — | — | |
| SCHEMBL1964158 | 0.88 | — | — | |
| SCHEMBL14128804 | 0.88 | — | — | |
| SCHEMBL6097032 | 0.86 | — | — | |
| SCHEMBL18282347 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL1840595 | 0.79 | — | — | |
| Pentane SCHEMBL28202843 | 0.75 | TSHR (0.39) | — | |
| SCHEMBL2430959 | 0.74 | — | — | |
| SCHEMBL10816961 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL9175475 | 0.73 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105111214-B | A kind of preparation method of pemetrexed disodium | 江西农业大学 | 2017-10-31 | — | — | CN | claimed |
| CN-105111214-A | Preparation method of pemetrexed disodium | UNIV JIANGXI AGRICULTURAL | 2015-12-02 | — | — | CN | claimed |
| EP-0189310-A2 | N-Substituted 2-chloro-7-fluoro-10-piperazino-10,11-dihydrodibenzo (b,f) thiepins, their acid addition salts and processes for the preparation thereof | SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) | 1986-07-30 | — | — | EP | claimed |
| CN-105111214-B | A kind of preparation method of pemetrexed disodium | 江西农业大学 | 2017-10-31 | — | — | CN | disclosed |
| CN-105111214-A | Preparation method of pemetrexed disodium | UNIV JIANGXI AGRICULTURAL | 2015-12-02 | — | — | CN | disclosed |
| US-20050050594-A1 | Tryptophan synthase as a site of herbicide action | RODAWAY SHIRLEY (US) | 2005-03-03 | — | — | US | disclosed |
| EP-1144672-A3 | TRYPTOPHAN SYNTHASE AS A SITE OF HERBICIDE ACTION | AMERICAN CYANAMID COMPANY (US) | 2002-03-27 | — | — | EP | disclosed |
| WO-2000046394-A9 | TRYPTOPHAN SYNTHASE AS A SITE OF HERBICIDE ACTION | AMERICAN CYANAMID CO (US) | 2001-10-18 | — | — | WO | disclosed |
| EP-1144672-A2 | TRYPTOPHAN SYNTHASE AS A SITE OF HERBICIDE ACTION | AMERICAN CYANAMID COMPANY (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000046394-A2 | TRYPTOPHAN SYNTHASE AS A SITE OF HERBICIDE ACTION | AMERICAN CYANMID COMPANY (US) | 2000-08-10 | — | — | WO | disclosed |
| EP-0213775-B1 | NEW BENZAMIDES | WALTON S.A. (ES) | 1990-01-03 | — | — | EP | disclosed |
| EP-0089100-B1 | AZOLYL DERIVATIVES AS FUNGICIDES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-05-31 | — | — | EP | disclosed |
| US-4772618-A | NONAROMATIC CYCLIC (THIO)ETHER GROUPS, AMINE INTERMEDIATES, GASTROINTESTINAL DISORDERS | FORDONAL, S.A. (ES) | 1988-09-20 | — | — | US | disclosed |
| US-4678788-A | N-substituted 2-chloro-7-fluoro-10-piperazino-10,11-dihydrodibenzo (B,F) thiepins and acid addition salts thereof | SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOU VYROBU (CS) | 1987-07-07 | — | — | US | disclosed |
| EP-0213775-A1 | New Benzamides | WALTON S.A. (ES) | 1987-03-11 | — | — | EP | disclosed |
| EP-0189310-A2 | N-Substituted 2-chloro-7-fluoro-10-piperazino-10,11-dihydrodibenzo (b,f) thiepins, their acid addition salts and processes for the preparation thereof | SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) | 1986-07-30 | — | — | EP | disclosed |
| US-4518415-A | PLANT GROWTH REGULATORS, FUNGICIDES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-05-21 | — | — | US | disclosed |
| EP-0089100-A2 | Azolyl derivatives as fungicides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-09-21 | — | — | EP | disclosed |