SCHEMBL8401074

SCHEMBL8401074

Cc1cn([C@@H]2O[C@H](C(O)S(C)(=O)=O)[C@](O)(S(C)(=O)=O)[C@]2(O)S(C)(=O)=O)c(=O)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ALB P02768 1/20 0.40
POLB P06746 1/20 0.40
ADRA1A P35348 1/20 0.40
BLM P54132 1/20 0.40
TK1 P04183 4/20 0.38
DHFR P00374 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL9652156 0.78 TK1 (0.43) TK1DHFR
SCHEMBL7255448 0.78 TK1 (0.43) TK1DHFR
SCHEMBL8403656 0.73 ALDH1A1 (0.56) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL7049183 0.70 ALDH1A1 (0.41) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL8510407 0.70 TK1 (0.60) TK1DHFR
SCHEMBL2108282 0.69 ALDH1A1 (0.43) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL2108286 0.69 ALDH1A1 (0.43) ALDH1A1LMNAALBPOLBADRA1A
SCHEMBL9011728 0.69 TK1 (0.50) TK1DHFR
SCHEMBL9011727 0.69 TK1 (0.50) TK1DHFR
SCHEMBL800959 0.68 ALDH1A1 (0.43) ALDH1A1LMNAALBPOLBADRA1A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735044-B1 Preparation of D4T from 5-methyluridine BRISTOL MYERS SQUIBB CO (US) 1999-06-23 EP claimed
US-5608049-A 2,3-DIDEHYDRO-3'-DEOXYTHYMIDINE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-03-04 US claimed
EP-0735044-A1 Preparation of D4T from 5-methyluridine Bristol-Myers Squibb Company (US) 1996-10-02 EP claimed
EP-0735044-B1 Preparation of D4T from 5-methyluridine BRISTOL MYERS SQUIBB CO (US) 1999-06-23 EP disclosed
EP-0653436-B1 5-Methyluridine process for large-scale preparation of 2',3'-didehydro-3'-deoxythymidine (d4T) BRISTOL MYERS SQUIBB CO (US) 1998-01-21 EP disclosed
US-5672698-A BLOCKING WITH MESYL CHLORIDE; HYDROXIDE TREATMENT TO CYCLICIZE; DISPLACEMENT OF THE 5'-MESYL GROUP WITH BENZOATE AND HYDROBROMINATION; CHEMICAL REDUCTION WITH ZINC; DISSOLVING IN N-METHYLPYRROLIDONE AND BUTYLACETATE; AIDS BRISTOL-MYERS SQUIBB CO. (US) 1997-09-30 US disclosed
EP-0653437-B1 Process for preparing AZT and derivatives thereof BRISTOL MYERS SQUIBB CO (US) 1997-08-13 EP disclosed
US-5608049-A 2,3-DIDEHYDRO-3'-DEOXYTHYMIDINE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-03-04 US disclosed
EP-0735044-A1 Preparation of D4T from 5-methyluridine Bristol-Myers Squibb Company (US) 1996-10-02 EP disclosed
US-5466787-A Process for preparing AZT BRISTOL-MYERS SQUIBB COMPANY (US) 1995-11-14 US disclosed
EP-0653437-A1 Process for preparing AZT and derivatives thereof BRISTOL-MYERS SQUIBB COMPANY (US) 1995-05-17 EP disclosed
EP-0653436-A1 5-Methyluridine process for large-scale preparation of 2',3'-didehydro-3'-deoxythymidine (d4T) BRISTOL-MYERS SQUIBB COMPANY (US) 1995-05-17 EP disclosed