⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11804103 | 1.00 | — | — | |
| SCHEMBL7515146 | 1.00 | — | — | |
| SCHEMBL11039465 | 0.79 | ALDH1A1 (0.46) | — | |
| SCHEMBL9237609 | 0.78 | — | — | |
| SCHEMBL2769730 | 0.78 | — | — | |
| SCHEMBL2769728 | 0.78 | — | — | |
| SCHEMBL1846246 | 0.78 | — | — | |
| SCHEMBL2504997 | 0.78 | — | — | |
| SCHEMBL14204857 | 0.78 | — | — | |
| SCHEMBL2769373 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0050762-B1 | PROCESS FOR THE PREPARATION OF VINYLCYCLOPROPANE DERIVATIVES | NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) | 1984-06-13 | — | — | EP | claimed |
| US-4001307-A | HALOGENATION, ESTERIFICATION, ISOPRENE | SCM CORPORATION (US) | 1977-01-04 | — | — | US | claimed |
| US-3970706-A | MULTISTAGE | AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) | 1976-07-20 | — | — | US | claimed |
| EP-1231197-A1 | Process for producing allyl halide compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-08-14 | — | — | EP | disclosed |
| US-20020107422-A1 | Process for producing allyl halide compound | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2002-08-08 | — | — | US | disclosed |
| EP-0270006-B1 | EFFICIENT CIS-TO-TRANS ISOMERIZATION OF 1, 4-DIHALOBUTENE-2 | HENKEL CORPORATION (US) | 1991-02-27 | — | — | EP | disclosed |
| US-4474983-A | Process for preparing compounds having a 1,5-dimethyl-hexa-1,5-dienylene group by desulphonylation of a corresponding sulphone | RHONE-POULENC S.A. (FR) | 1984-10-02 | — | — | US | disclosed |
| US-4433171-A | Sulphones having a 1,5-dimethyl-hexa-1,5-dienylene group | RHONE-POULENC S.A. (FR) | 1984-02-21 | — | — | US | disclosed |
| US-4331814-A | Sulphones having a 1,5-dimethyl-hexa-1,5-dienylene group | RHONE POULENC S.A. (FR) | 1982-05-25 | — | — | US | disclosed |
| US-4219667-A | Sulphones with an alcohol group and their esters | RHONE-POULENC S.A. (FR) | 1980-08-26 | — | — | US | disclosed |
| US-4001307-A | HALOGENATION, ESTERIFICATION, ISOPRENE | SCM CORPORATION (US) | 1977-01-04 | — | — | US | disclosed |
| US-4000200-A | PREPARATION OF KETONES FROM OLEFINS | PETRO-TEX CHEMICAL CORPORATION (US) | 1976-12-28 | — | — | US | disclosed |
| US-3970706-A | MULTISTAGE | AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) | 1976-07-20 | — | — | US | disclosed |
| US-3932543-A | Process for halogenation of conjugated dienes to dihalogenated butene products | SCM CORPORATION (US) | 1976-01-13 | — | — | US | disclosed |
| US-3932543-A | Process for halogenation of conjugated dienes to dihalogenated butene products | SCM CORPORATION (US) | 1976-01-13 | — | — | US | disclosed |